USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1082 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 118 GLN : amide:sc= -0.0586 X(o=-0.059,f=-0.059) USER MOD Set 1.2: A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 120 SER OG : rot -50:sc= 0.232 USER MOD Set 2.2: A 132 HIS : no HD1:sc= -0.817 K(o=-0.59,f=-2.3) USER MOD Set 3.1: A 46 THR OG1 : rot 180:sc= -0.257 USER MOD Set 3.2: A 56 GLN : amide:sc= 0 X(o=-0.26,f=-0.12) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0.33 (180deg=0.244) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -140:sc= 1.11 (180deg=0.239) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0666 K(o=-0.067,f=-2) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -1.21 K(o=-1.2,f=-5.9!) USER MOD Single : A 22 SER OG : rot 79:sc= 0.127 USER MOD Single : A 25 SER OG : rot -84:sc= 1.19 USER MOD Single : A 26 THR OG1 : rot -7:sc= 0.148 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 162:sc= -0.0866 (180deg=-0.427) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0563) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -29:sc= 0.177 USER MOD Single : A 51 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0407) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.0751 X(o=-0.075,f=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 178:sc= -0.033 (180deg=-0.039) USER MOD Single : A 86 MET CE :methyl -134:sc= -0.373 (180deg=-4.56!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0.206 X(o=0.21,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 77:sc= 0.348 USER MOD Single : A 112 LYS NZ :NH3+ -125:sc= 0.384 (180deg=-0.546) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 CYS SG : rot -58:sc= -0.173 USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 133 HIS : no HE2:sc= 0.21 K(o=0.21,f=-1.5) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 135 HIS : no HD1:sc= -0.022 X(o=-0.022,f=-0.00031) USER MOD Single : A 136 HIS : no HD1:sc= -0.0312 X(o=-0.031,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.157 22.718 -4.899 1.00 45.41 N ATOM 2 CA MET A 1 -7.102 23.275 -5.793 1.00 64.23 C ATOM 3 C MET A 1 -5.680 23.030 -5.232 1.00 44.32 C ATOM 4 O MET A 1 -4.758 23.812 -5.498 1.00 41.41 O ATOM 5 CB MET A 1 -7.368 24.784 -6.028 1.00 63.54 C ATOM 6 CG MET A 1 -8.732 25.070 -6.664 1.00 24.51 C ATOM 7 SD MET A 1 -8.965 24.186 -8.223 1.00 24.22 S ATOM 8 CE MET A 1 -10.665 24.596 -8.625 1.00 45.51 C ATOM 0 H1 MET A 1 -9.091 22.858 -5.335 1.00 45.41 H new ATOM 0 H2 MET A 1 -7.990 21.701 -4.757 1.00 45.41 H new ATOM 0 H3 MET A 1 -8.127 23.206 -3.981 1.00 45.41 H new ATOM 0 HA MET A 1 -7.148 22.754 -6.749 1.00 64.23 H new ATOM 0 HB2 MET A 1 -7.302 25.309 -5.075 1.00 63.54 H new ATOM 0 HB3 MET A 1 -6.585 25.188 -6.669 1.00 63.54 H new ATOM 0 HG2 MET A 1 -9.521 24.787 -5.967 1.00 24.51 H new ATOM 0 HG3 MET A 1 -8.831 26.141 -6.839 1.00 24.51 H new ATOM 0 HE1 MET A 1 -10.943 24.117 -9.564 1.00 45.51 H new ATOM 0 HE2 MET A 1 -11.322 24.244 -7.830 1.00 45.51 H new ATOM 0 HE3 MET A 1 -10.765 25.677 -8.726 1.00 45.51 H new ATOM 20 N LYS A 2 -5.502 21.922 -4.481 1.00 30.52 N ATOM 21 CA LYS A 2 -4.171 21.493 -3.985 1.00 61.33 C ATOM 22 C LYS A 2 -4.168 19.985 -3.643 1.00 24.32 C ATOM 23 O LYS A 2 -5.160 19.461 -3.126 1.00 32.33 O ATOM 24 CB LYS A 2 -3.729 22.305 -2.725 1.00 34.05 C ATOM 25 CG LYS A 2 -4.602 22.088 -1.464 1.00 44.21 C ATOM 26 CD LYS A 2 -4.052 22.812 -0.211 1.00 10.53 C ATOM 27 CE LYS A 2 -4.873 22.507 1.056 1.00 64.04 C ATOM 28 NZ LYS A 2 -4.325 23.190 2.258 1.00 55.12 N ATOM 0 H LYS A 2 -6.265 21.305 -4.203 1.00 30.52 H new ATOM 0 HA LYS A 2 -3.461 21.686 -4.789 1.00 61.33 H new ATOM 0 HB2 LYS A 2 -2.699 22.041 -2.485 1.00 34.05 H new ATOM 0 HB3 LYS A 2 -3.736 23.366 -2.975 1.00 34.05 H new ATOM 0 HG2 LYS A 2 -5.614 22.441 -1.665 1.00 44.21 H new ATOM 0 HG3 LYS A 2 -4.672 21.020 -1.257 1.00 44.21 H new ATOM 0 HD2 LYS A 2 -3.016 22.514 -0.049 1.00 10.53 H new ATOM 0 HD3 LYS A 2 -4.050 23.887 -0.389 1.00 10.53 H new ATOM 0 HE2 LYS A 2 -5.906 22.820 0.902 1.00 64.04 H new ATOM 0 HE3 LYS A 2 -4.888 21.431 1.227 1.00 64.04 H new ATOM 0 HZ1 LYS A 2 -4.909 22.956 3.086 1.00 55.12 H new ATOM 0 HZ2 LYS A 2 -3.348 22.873 2.422 1.00 55.12 H new ATOM 0 HZ3 LYS A 2 -4.334 24.219 2.107 1.00 55.12 H new ATOM 42 N LYS A 3 -3.049 19.300 -3.940 1.00 71.35 N ATOM 43 CA LYS A 3 -2.769 17.943 -3.407 1.00 61.23 C ATOM 44 C LYS A 3 -2.423 17.999 -1.897 1.00 72.33 C ATOM 45 O LYS A 3 -2.154 19.074 -1.341 1.00 22.23 O ATOM 46 CB LYS A 3 -1.603 17.272 -4.189 1.00 5.31 C ATOM 47 CG LYS A 3 -1.942 16.814 -5.624 1.00 64.43 C ATOM 48 CD LYS A 3 -2.907 15.601 -5.671 1.00 42.42 C ATOM 49 CE LYS A 3 -2.963 14.950 -7.068 1.00 33.30 C ATOM 50 NZ LYS A 3 -3.287 15.930 -8.141 1.00 41.22 N ATOM 0 H LYS A 3 -2.316 19.662 -4.550 1.00 71.35 H new ATOM 0 HA LYS A 3 -3.671 17.346 -3.537 1.00 61.23 H new ATOM 0 HB2 LYS A 3 -0.770 17.973 -4.237 1.00 5.31 H new ATOM 0 HB3 LYS A 3 -1.259 16.407 -3.622 1.00 5.31 H new ATOM 0 HG2 LYS A 3 -2.390 17.646 -6.167 1.00 64.43 H new ATOM 0 HG3 LYS A 3 -1.019 16.555 -6.142 1.00 64.43 H new ATOM 0 HD2 LYS A 3 -2.589 14.858 -4.939 1.00 42.42 H new ATOM 0 HD3 LYS A 3 -3.907 15.924 -5.383 1.00 42.42 H new ATOM 0 HE2 LYS A 3 -2.003 14.482 -7.286 1.00 33.30 H new ATOM 0 HE3 LYS A 3 -3.711 14.157 -7.066 1.00 33.30 H new ATOM 0 HZ1 LYS A 3 -3.939 15.494 -8.824 1.00 41.22 H new ATOM 0 HZ2 LYS A 3 -3.736 16.769 -7.721 1.00 41.22 H new ATOM 0 HZ3 LYS A 3 -2.413 16.213 -8.628 1.00 41.22 H new ATOM 64 N GLU A 4 -2.424 16.824 -1.254 1.00 61.24 N ATOM 65 CA GLU A 4 -2.117 16.681 0.177 1.00 21.24 C ATOM 66 C GLU A 4 -1.678 15.234 0.493 1.00 42.12 C ATOM 67 O GLU A 4 -2.368 14.276 0.131 1.00 51.21 O ATOM 68 CB GLU A 4 -3.362 17.061 1.023 1.00 1.45 C ATOM 69 CG GLU A 4 -3.147 16.976 2.544 1.00 12.14 C ATOM 70 CD GLU A 4 -4.390 17.374 3.353 1.00 21.21 C ATOM 71 OE1 GLU A 4 -4.585 18.586 3.604 1.00 42.24 O ATOM 72 OE2 GLU A 4 -5.170 16.479 3.746 1.00 72.34 O ATOM 0 H GLU A 4 -2.639 15.940 -1.714 1.00 61.24 H new ATOM 0 HA GLU A 4 -1.296 17.353 0.430 1.00 21.24 H new ATOM 0 HB2 GLU A 4 -3.664 18.077 0.767 1.00 1.45 H new ATOM 0 HB3 GLU A 4 -4.187 16.404 0.748 1.00 1.45 H new ATOM 0 HG2 GLU A 4 -2.860 15.958 2.808 1.00 12.14 H new ATOM 0 HG3 GLU A 4 -2.316 17.624 2.824 1.00 12.14 H new ATOM 79 N LYS A 5 -0.524 15.089 1.162 1.00 75.00 N ATOM 80 CA LYS A 5 -0.030 13.785 1.634 1.00 2.11 C ATOM 81 C LYS A 5 -0.863 13.306 2.849 1.00 73.30 C ATOM 82 O LYS A 5 -1.081 14.060 3.803 1.00 65.12 O ATOM 83 CB LYS A 5 1.460 13.895 2.024 1.00 35.21 C ATOM 84 CG LYS A 5 2.077 12.573 2.524 1.00 24.35 C ATOM 85 CD LYS A 5 3.511 12.737 3.075 1.00 15.10 C ATOM 86 CE LYS A 5 3.588 13.676 4.300 1.00 4.35 C ATOM 87 NZ LYS A 5 4.979 13.829 4.800 1.00 73.23 N ATOM 0 H LYS A 5 0.092 15.869 1.391 1.00 75.00 H new ATOM 0 HA LYS A 5 -0.133 13.057 0.829 1.00 2.11 H new ATOM 0 HB2 LYS A 5 2.026 14.244 1.161 1.00 35.21 H new ATOM 0 HB3 LYS A 5 1.566 14.651 2.802 1.00 35.21 H new ATOM 0 HG2 LYS A 5 1.441 12.156 3.305 1.00 24.35 H new ATOM 0 HG3 LYS A 5 2.090 11.854 1.705 1.00 24.35 H new ATOM 0 HD2 LYS A 5 3.902 11.758 3.351 1.00 15.10 H new ATOM 0 HD3 LYS A 5 4.154 13.126 2.286 1.00 15.10 H new ATOM 0 HE2 LYS A 5 3.190 14.655 4.032 1.00 4.35 H new ATOM 0 HE3 LYS A 5 2.958 13.283 5.098 1.00 4.35 H new ATOM 0 HZ1 LYS A 5 4.984 14.467 5.622 1.00 73.23 H new ATOM 0 HZ2 LYS A 5 5.351 12.899 5.081 1.00 73.23 H new ATOM 0 HZ3 LYS A 5 5.576 14.228 4.048 1.00 73.23 H new ATOM 101 N ILE A 6 -1.300 12.039 2.809 1.00 72.45 N ATOM 102 CA ILE A 6 -2.168 11.426 3.837 1.00 62.10 C ATOM 103 C ILE A 6 -1.650 9.992 4.164 1.00 54.40 C ATOM 104 O ILE A 6 -1.483 9.161 3.269 1.00 72.53 O ATOM 105 CB ILE A 6 -3.697 11.390 3.387 1.00 75.51 C ATOM 106 CG1 ILE A 6 -3.923 10.485 2.127 1.00 11.32 C ATOM 107 CG2 ILE A 6 -4.255 12.820 3.152 1.00 34.22 C ATOM 108 CD1 ILE A 6 -5.322 10.534 1.526 1.00 60.14 C ATOM 0 H ILE A 6 -1.060 11.398 2.053 1.00 72.45 H new ATOM 0 HA ILE A 6 -2.121 12.043 4.735 1.00 62.10 H new ATOM 0 HB ILE A 6 -4.254 10.942 4.210 1.00 75.51 H new ATOM 0 HG12 ILE A 6 -3.206 10.776 1.359 1.00 11.32 H new ATOM 0 HG13 ILE A 6 -3.699 9.453 2.398 1.00 11.32 H new ATOM 0 HG21 ILE A 6 -5.299 12.757 2.846 1.00 34.22 H new ATOM 0 HG22 ILE A 6 -4.181 13.396 4.075 1.00 34.22 H new ATOM 0 HG23 ILE A 6 -3.677 13.312 2.370 1.00 34.22 H new ATOM 0 HD11 ILE A 6 -5.370 9.873 0.661 1.00 60.14 H new ATOM 0 HD12 ILE A 6 -6.049 10.211 2.271 1.00 60.14 H new ATOM 0 HD13 ILE A 6 -5.549 11.554 1.216 1.00 60.14 H new ATOM 120 N HIS A 7 -1.315 9.729 5.437 1.00 14.20 N ATOM 121 CA HIS A 7 -0.970 8.359 5.898 1.00 0.44 C ATOM 122 C HIS A 7 -2.222 7.657 6.477 1.00 62.01 C ATOM 123 O HIS A 7 -2.904 8.199 7.351 1.00 42.33 O ATOM 124 CB HIS A 7 0.204 8.377 6.917 1.00 42.21 C ATOM 125 CG HIS A 7 0.062 9.357 8.055 1.00 54.21 C ATOM 126 ND1 HIS A 7 -0.755 9.140 9.140 1.00 54.12 N ATOM 127 CD2 HIS A 7 0.653 10.559 8.276 1.00 2.51 C ATOM 128 CE1 HIS A 7 -0.661 10.152 9.975 1.00 13.33 C ATOM 129 NE2 HIS A 7 0.182 11.026 9.478 1.00 34.54 N ATOM 0 H HIS A 7 -1.273 10.438 6.169 1.00 14.20 H new ATOM 0 HA HIS A 7 -0.628 7.785 5.037 1.00 0.44 H new ATOM 0 HB2 HIS A 7 0.315 7.376 7.334 1.00 42.21 H new ATOM 0 HB3 HIS A 7 1.125 8.602 6.379 1.00 42.21 H new ATOM 0 HD2 HIS A 7 1.361 11.055 7.628 1.00 2.51 H new ATOM 0 HE1 HIS A 7 -1.189 10.247 10.912 1.00 13.33 H new ATOM 0 HE2 HIS A 7 0.445 11.910 9.914 1.00 34.54 H new ATOM 138 N LEU A 8 -2.551 6.483 5.915 1.00 71.30 N ATOM 139 CA LEU A 8 -3.687 5.646 6.347 1.00 73.22 C ATOM 140 C LEU A 8 -3.164 4.419 7.164 1.00 75.35 C ATOM 141 O LEU A 8 -2.458 3.573 6.610 1.00 3.42 O ATOM 142 CB LEU A 8 -4.497 5.143 5.101 1.00 22.34 C ATOM 143 CG LEU A 8 -5.040 6.218 4.087 1.00 13.44 C ATOM 144 CD1 LEU A 8 -5.684 7.419 4.800 1.00 2.34 C ATOM 145 CD2 LEU A 8 -3.962 6.668 3.074 1.00 24.53 C ATOM 0 H LEU A 8 -2.029 6.081 5.136 1.00 71.30 H new ATOM 0 HA LEU A 8 -4.343 6.246 6.977 1.00 73.22 H new ATOM 0 HB2 LEU A 8 -3.861 4.453 4.547 1.00 22.34 H new ATOM 0 HB3 LEU A 8 -5.349 4.569 5.466 1.00 22.34 H new ATOM 0 HG LEU A 8 -5.827 5.727 3.515 1.00 13.44 H new ATOM 0 HD11 LEU A 8 -6.043 8.133 4.058 1.00 2.34 H new ATOM 0 HD12 LEU A 8 -6.521 7.075 5.408 1.00 2.34 H new ATOM 0 HD13 LEU A 8 -4.945 7.901 5.440 1.00 2.34 H new ATOM 0 HD21 LEU A 8 -4.386 7.409 2.397 1.00 24.53 H new ATOM 0 HD22 LEU A 8 -3.119 7.105 3.610 1.00 24.53 H new ATOM 0 HD23 LEU A 8 -3.620 5.807 2.500 1.00 24.53 H new ATOM 157 N GLU A 9 -3.509 4.332 8.473 1.00 24.22 N ATOM 158 CA GLU A 9 -3.055 3.224 9.373 1.00 41.42 C ATOM 159 C GLU A 9 -4.191 2.206 9.690 1.00 1.14 C ATOM 160 O GLU A 9 -5.297 2.589 10.091 1.00 23.23 O ATOM 161 CB GLU A 9 -2.472 3.785 10.708 1.00 51.01 C ATOM 162 CG GLU A 9 -1.263 4.754 10.553 1.00 1.30 C ATOM 163 CD GLU A 9 -1.633 6.257 10.534 1.00 40.14 C ATOM 164 OE1 GLU A 9 -2.576 6.656 9.819 1.00 74.20 O ATOM 165 OE2 GLU A 9 -0.985 7.056 11.248 1.00 63.13 O ATOM 0 H GLU A 9 -4.104 5.018 8.938 1.00 24.22 H new ATOM 0 HA GLU A 9 -2.273 2.695 8.829 1.00 41.42 H new ATOM 0 HB2 GLU A 9 -3.267 4.306 11.242 1.00 51.01 H new ATOM 0 HB3 GLU A 9 -2.166 2.946 11.332 1.00 51.01 H new ATOM 0 HG2 GLU A 9 -0.566 4.576 11.372 1.00 1.30 H new ATOM 0 HG3 GLU A 9 -0.738 4.512 9.629 1.00 1.30 H new ATOM 172 N TYR A 10 -3.885 0.902 9.531 1.00 21.33 N ATOM 173 CA TYR A 10 -4.836 -0.214 9.772 1.00 2.24 C ATOM 174 C TYR A 10 -4.198 -1.222 10.758 1.00 54.45 C ATOM 175 O TYR A 10 -3.098 -1.702 10.511 1.00 0.02 O ATOM 176 CB TYR A 10 -5.170 -0.924 8.426 1.00 23.34 C ATOM 177 CG TYR A 10 -5.623 0.035 7.307 1.00 65.15 C ATOM 178 CD1 TYR A 10 -6.930 0.538 7.266 1.00 23.15 C ATOM 179 CD2 TYR A 10 -4.738 0.447 6.300 1.00 61.22 C ATOM 180 CE1 TYR A 10 -7.333 1.410 6.269 1.00 1.33 C ATOM 181 CE2 TYR A 10 -5.140 1.319 5.302 1.00 73.42 C ATOM 182 CZ TYR A 10 -6.439 1.797 5.292 1.00 2.14 C ATOM 183 OH TYR A 10 -6.843 2.668 4.299 1.00 72.31 O ATOM 0 H TYR A 10 -2.963 0.586 9.229 1.00 21.33 H new ATOM 0 HA TYR A 10 -5.759 0.178 10.200 1.00 2.24 H new ATOM 0 HB2 TYR A 10 -4.290 -1.471 8.087 1.00 23.34 H new ATOM 0 HB3 TYR A 10 -5.955 -1.660 8.600 1.00 23.34 H new ATOM 0 HD1 TYR A 10 -7.636 0.240 8.027 1.00 23.15 H new ATOM 0 HD2 TYR A 10 -3.723 0.077 6.303 1.00 61.22 H new ATOM 0 HE1 TYR A 10 -8.345 1.787 6.256 1.00 1.33 H new ATOM 0 HE2 TYR A 10 -4.443 1.625 4.535 1.00 73.42 H new ATOM 0 HH TYR A 10 -6.094 2.841 3.691 1.00 72.31 H new ATOM 193 N LEU A 11 -4.887 -1.555 11.861 1.00 45.24 N ATOM 194 CA LEU A 11 -4.327 -2.445 12.908 1.00 52.34 C ATOM 195 C LEU A 11 -4.879 -3.875 12.728 1.00 63.20 C ATOM 196 O LEU A 11 -6.013 -4.170 13.113 1.00 32.42 O ATOM 197 CB LEU A 11 -4.653 -1.873 14.313 1.00 33.22 C ATOM 198 CG LEU A 11 -4.143 -0.413 14.563 1.00 55.10 C ATOM 199 CD1 LEU A 11 -4.642 0.138 15.912 1.00 34.41 C ATOM 200 CD2 LEU A 11 -2.602 -0.333 14.459 1.00 72.23 C ATOM 0 H LEU A 11 -5.832 -1.225 12.057 1.00 45.24 H new ATOM 0 HA LEU A 11 -3.242 -2.493 12.812 1.00 52.34 H new ATOM 0 HB2 LEU A 11 -5.733 -1.895 14.457 1.00 33.22 H new ATOM 0 HB3 LEU A 11 -4.218 -2.529 15.067 1.00 33.22 H new ATOM 0 HG LEU A 11 -4.562 0.218 13.779 1.00 55.10 H new ATOM 0 HD11 LEU A 11 -4.269 1.153 16.051 1.00 34.41 H new ATOM 0 HD12 LEU A 11 -5.732 0.148 15.920 1.00 34.41 H new ATOM 0 HD13 LEU A 11 -4.279 -0.496 16.721 1.00 34.41 H new ATOM 0 HD21 LEU A 11 -2.278 0.692 14.637 1.00 72.23 H new ATOM 0 HD22 LEU A 11 -2.152 -0.990 15.203 1.00 72.23 H new ATOM 0 HD23 LEU A 11 -2.288 -0.645 13.463 1.00 72.23 H new ATOM 212 N LEU A 12 -4.060 -4.764 12.138 1.00 25.34 N ATOM 213 CA LEU A 12 -4.498 -6.116 11.720 1.00 71.33 C ATOM 214 C LEU A 12 -3.842 -7.227 12.559 1.00 43.41 C ATOM 215 O LEU A 12 -2.616 -7.366 12.586 1.00 21.44 O ATOM 216 CB LEU A 12 -4.208 -6.319 10.207 1.00 72.13 C ATOM 217 CG LEU A 12 -5.092 -5.464 9.241 1.00 31.32 C ATOM 218 CD1 LEU A 12 -4.729 -5.725 7.766 1.00 41.20 C ATOM 219 CD2 LEU A 12 -6.597 -5.719 9.506 1.00 62.01 C ATOM 0 H LEU A 12 -3.079 -4.571 11.936 1.00 25.34 H new ATOM 0 HA LEU A 12 -5.572 -6.187 11.893 1.00 71.33 H new ATOM 0 HB2 LEU A 12 -3.160 -6.084 10.019 1.00 72.13 H new ATOM 0 HB3 LEU A 12 -4.347 -7.373 9.965 1.00 72.13 H new ATOM 0 HG LEU A 12 -4.888 -4.412 9.442 1.00 31.32 H new ATOM 0 HD11 LEU A 12 -5.362 -5.115 7.122 1.00 41.20 H new ATOM 0 HD12 LEU A 12 -3.684 -5.466 7.597 1.00 41.20 H new ATOM 0 HD13 LEU A 12 -4.884 -6.779 7.534 1.00 41.20 H new ATOM 0 HD21 LEU A 12 -7.194 -5.114 8.823 1.00 62.01 H new ATOM 0 HD22 LEU A 12 -6.821 -6.774 9.347 1.00 62.01 H new ATOM 0 HD23 LEU A 12 -6.836 -5.448 10.534 1.00 62.01 H new ATOM 231 N ASN A 13 -4.691 -8.019 13.232 1.00 44.14 N ATOM 232 CA ASN A 13 -4.271 -9.176 14.042 1.00 52.40 C ATOM 233 C ASN A 13 -4.998 -10.456 13.565 1.00 62.53 C ATOM 234 O ASN A 13 -6.167 -10.392 13.161 1.00 60.24 O ATOM 235 CB ASN A 13 -4.560 -8.892 15.542 1.00 4.24 C ATOM 236 CG ASN A 13 -4.201 -10.062 16.461 1.00 63.22 C ATOM 237 OD1 ASN A 13 -2.945 -10.170 16.828 1.00 73.42 O flip ATOM 238 ND2 ASN A 13 -5.043 -10.884 16.809 1.00 11.34 N flip ATOM 0 H ASN A 13 -5.701 -7.873 13.230 1.00 44.14 H new ATOM 0 HA ASN A 13 -3.200 -9.336 13.920 1.00 52.40 H new ATOM 0 HB2 ASN A 13 -3.999 -8.010 15.852 1.00 4.24 H new ATOM 0 HB3 ASN A 13 -5.617 -8.656 15.663 1.00 4.24 H new ATOM 0 HD21 ASN A 13 -6.013 -10.778 16.511 1.00 11.34 H new ATOM 0 HD22 ASN A 13 -4.773 -11.673 17.396 1.00 11.34 H new ATOM 245 N ALA A 14 -4.265 -11.600 13.603 1.00 55.34 N ATOM 246 CA ALA A 14 -4.757 -12.961 13.232 1.00 60.35 C ATOM 247 C ALA A 14 -4.858 -13.186 11.693 1.00 44.10 C ATOM 248 O ALA A 14 -4.551 -14.283 11.204 1.00 11.51 O ATOM 249 CB ALA A 14 -6.087 -13.318 13.941 1.00 64.22 C ATOM 0 H ALA A 14 -3.289 -11.605 13.900 1.00 55.34 H new ATOM 0 HA ALA A 14 -3.994 -13.650 13.593 1.00 60.35 H new ATOM 0 HB1 ALA A 14 -6.404 -14.316 13.639 1.00 64.22 H new ATOM 0 HB2 ALA A 14 -5.941 -13.295 15.021 1.00 64.22 H new ATOM 0 HB3 ALA A 14 -6.853 -12.595 13.663 1.00 64.22 H new ATOM 255 N THR A 15 -5.293 -12.154 10.942 1.00 60.12 N ATOM 256 CA THR A 15 -5.440 -12.217 9.474 1.00 2.22 C ATOM 257 C THR A 15 -4.067 -12.092 8.767 1.00 11.12 C ATOM 258 O THR A 15 -3.567 -10.977 8.552 1.00 3.20 O ATOM 259 CB THR A 15 -6.413 -11.098 8.955 1.00 31.14 C ATOM 260 OG1 THR A 15 -7.658 -11.177 9.667 1.00 62.12 O ATOM 261 CG2 THR A 15 -6.691 -11.212 7.436 1.00 52.30 C ATOM 0 H THR A 15 -5.553 -11.251 11.338 1.00 60.12 H new ATOM 0 HA THR A 15 -5.867 -13.190 9.232 1.00 2.22 H new ATOM 0 HB THR A 15 -5.926 -10.139 9.132 1.00 31.14 H new ATOM 0 HG1 THR A 15 -8.264 -10.478 9.344 1.00 62.12 H new ATOM 0 HG21 THR A 15 -7.369 -10.415 7.129 1.00 52.30 H new ATOM 0 HG22 THR A 15 -5.754 -11.123 6.887 1.00 52.30 H new ATOM 0 HG23 THR A 15 -7.147 -12.179 7.221 1.00 52.30 H new ATOM 269 N SER A 16 -3.449 -13.260 8.484 1.00 42.12 N ATOM 270 CA SER A 16 -2.223 -13.386 7.651 1.00 71.03 C ATOM 271 C SER A 16 -0.974 -12.677 8.255 1.00 55.40 C ATOM 272 O SER A 16 -1.008 -12.132 9.363 1.00 64.21 O ATOM 273 CB SER A 16 -2.491 -12.870 6.207 1.00 63.13 C ATOM 274 OG SER A 16 -3.569 -13.564 5.591 1.00 43.32 O ATOM 0 H SER A 16 -3.789 -14.157 8.831 1.00 42.12 H new ATOM 0 HA SER A 16 -1.985 -14.449 7.627 1.00 71.03 H new ATOM 0 HB2 SER A 16 -2.715 -11.804 6.238 1.00 63.13 H new ATOM 0 HB3 SER A 16 -1.590 -12.989 5.605 1.00 63.13 H new ATOM 0 HG SER A 16 -3.710 -13.213 4.687 1.00 43.32 H new ATOM 280 N LYS A 17 0.146 -12.732 7.509 1.00 4.41 N ATOM 281 CA LYS A 17 1.423 -12.082 7.887 1.00 1.41 C ATOM 282 C LYS A 17 1.597 -10.755 7.091 1.00 2.45 C ATOM 283 O LYS A 17 0.631 -10.215 6.551 1.00 44.40 O ATOM 284 CB LYS A 17 2.630 -13.041 7.600 1.00 52.15 C ATOM 285 CG LYS A 17 2.602 -14.426 8.298 1.00 72.14 C ATOM 286 CD LYS A 17 1.612 -15.432 7.649 1.00 52.34 C ATOM 287 CE LYS A 17 1.677 -16.835 8.270 1.00 65.03 C ATOM 288 NZ LYS A 17 0.655 -17.742 7.686 1.00 2.35 N ATOM 0 H LYS A 17 0.194 -13.231 6.621 1.00 4.41 H new ATOM 0 HA LYS A 17 1.401 -11.859 8.954 1.00 1.41 H new ATOM 0 HB2 LYS A 17 2.687 -13.204 6.524 1.00 52.15 H new ATOM 0 HB3 LYS A 17 3.547 -12.531 7.894 1.00 52.15 H new ATOM 0 HG2 LYS A 17 3.605 -14.853 8.279 1.00 72.14 H new ATOM 0 HG3 LYS A 17 2.333 -14.290 9.346 1.00 72.14 H new ATOM 0 HD2 LYS A 17 0.597 -15.046 7.746 1.00 52.34 H new ATOM 0 HD3 LYS A 17 1.825 -15.504 6.582 1.00 52.34 H new ATOM 0 HE2 LYS A 17 2.670 -17.257 8.113 1.00 65.03 H new ATOM 0 HE3 LYS A 17 1.527 -16.764 9.347 1.00 65.03 H new ATOM 0 HZ1 LYS A 17 0.729 -18.680 8.129 1.00 2.35 H new ATOM 0 HZ2 LYS A 17 -0.294 -17.352 7.857 1.00 2.35 H new ATOM 0 HZ3 LYS A 17 0.813 -17.830 6.662 1.00 2.35 H new ATOM 302 N ASN A 18 2.845 -10.250 7.029 1.00 55.14 N ATOM 303 CA ASN A 18 3.234 -9.062 6.218 1.00 73.42 C ATOM 304 C ASN A 18 2.816 -9.144 4.711 1.00 2.32 C ATOM 305 O ASN A 18 2.605 -8.105 4.073 1.00 43.03 O ATOM 306 CB ASN A 18 4.762 -8.813 6.330 1.00 32.31 C ATOM 307 CG ASN A 18 5.624 -10.026 5.944 1.00 41.33 C ATOM 308 OD1 ASN A 18 5.354 -11.154 6.339 1.00 13.55 O ATOM 309 ND2 ASN A 18 6.651 -9.811 5.145 1.00 0.43 N ATOM 0 H ASN A 18 3.626 -10.655 7.544 1.00 55.14 H new ATOM 0 HA ASN A 18 2.679 -8.224 6.639 1.00 73.42 H new ATOM 0 HB2 ASN A 18 5.030 -7.972 5.691 1.00 32.31 H new ATOM 0 HB3 ASN A 18 4.998 -8.524 7.354 1.00 32.31 H new ATOM 0 HD21 ASN A 18 7.236 -10.591 4.845 1.00 0.43 H new ATOM 0 HD22 ASN A 18 6.860 -8.865 4.827 1.00 0.43 H new ATOM 316 N ILE A 19 2.708 -10.377 4.164 1.00 12.15 N ATOM 317 CA ILE A 19 2.411 -10.655 2.718 1.00 62.12 C ATOM 318 C ILE A 19 1.141 -9.896 2.186 1.00 72.13 C ATOM 319 O ILE A 19 1.028 -9.667 0.972 1.00 25.32 O ATOM 320 CB ILE A 19 2.296 -12.228 2.441 1.00 22.31 C ATOM 321 CG1 ILE A 19 3.663 -12.984 2.687 1.00 71.44 C ATOM 322 CG2 ILE A 19 1.792 -12.550 1.007 1.00 0.43 C ATOM 323 CD1 ILE A 19 4.064 -13.202 4.131 1.00 31.01 C ATOM 0 H ILE A 19 2.825 -11.228 4.714 1.00 12.15 H new ATOM 0 HA ILE A 19 3.259 -10.264 2.157 1.00 62.12 H new ATOM 0 HB ILE A 19 1.558 -12.586 3.158 1.00 22.31 H new ATOM 0 HG12 ILE A 19 3.608 -13.956 2.198 1.00 71.44 H new ATOM 0 HG13 ILE A 19 4.457 -12.423 2.193 1.00 71.44 H new ATOM 0 HG21 ILE A 19 1.734 -13.631 0.876 1.00 0.43 H new ATOM 0 HG22 ILE A 19 0.804 -12.113 0.862 1.00 0.43 H new ATOM 0 HG23 ILE A 19 2.484 -12.133 0.276 1.00 0.43 H new ATOM 0 HD11 ILE A 19 5.017 -13.730 4.168 1.00 31.01 H new ATOM 0 HD12 ILE A 19 4.163 -12.238 4.631 1.00 31.01 H new ATOM 0 HD13 ILE A 19 3.301 -13.795 4.635 1.00 31.01 H new ATOM 335 N LEU A 20 0.251 -9.444 3.119 1.00 24.15 N ATOM 336 CA LEU A 20 -1.002 -8.679 2.816 1.00 0.35 C ATOM 337 C LEU A 20 -0.794 -7.625 1.698 1.00 55.21 C ATOM 338 O LEU A 20 -1.490 -7.635 0.676 1.00 53.24 O ATOM 339 CB LEU A 20 -1.490 -7.957 4.114 1.00 23.53 C ATOM 340 CG LEU A 20 -2.015 -8.874 5.265 1.00 61.10 C ATOM 341 CD1 LEU A 20 -2.067 -8.111 6.610 1.00 45.04 C ATOM 342 CD2 LEU A 20 -3.395 -9.482 4.911 1.00 32.43 C ATOM 0 H LEU A 20 0.384 -9.602 4.118 1.00 24.15 H new ATOM 0 HA LEU A 20 -1.746 -9.393 2.464 1.00 0.35 H new ATOM 0 HB2 LEU A 20 -0.665 -7.359 4.503 1.00 23.53 H new ATOM 0 HB3 LEU A 20 -2.285 -7.263 3.840 1.00 23.53 H new ATOM 0 HG LEU A 20 -1.310 -9.697 5.380 1.00 61.10 H new ATOM 0 HD11 LEU A 20 -2.436 -8.775 7.391 1.00 45.04 H new ATOM 0 HD12 LEU A 20 -1.067 -7.765 6.871 1.00 45.04 H new ATOM 0 HD13 LEU A 20 -2.735 -7.254 6.517 1.00 45.04 H new ATOM 0 HD21 LEU A 20 -3.735 -10.115 5.731 1.00 32.43 H new ATOM 0 HD22 LEU A 20 -4.115 -8.680 4.750 1.00 32.43 H new ATOM 0 HD23 LEU A 20 -3.307 -10.079 4.003 1.00 32.43 H new ATOM 354 N TRP A 21 0.152 -6.709 1.925 1.00 53.42 N ATOM 355 CA TRP A 21 0.671 -5.809 0.882 1.00 41.24 C ATOM 356 C TRP A 21 2.021 -6.301 0.324 1.00 12.33 C ATOM 357 O TRP A 21 2.242 -6.200 -0.864 1.00 13.53 O ATOM 358 CB TRP A 21 0.805 -4.377 1.423 1.00 52.22 C ATOM 359 CG TRP A 21 -0.511 -3.637 1.529 1.00 62.51 C ATOM 360 CD1 TRP A 21 -1.401 -3.658 2.563 1.00 30.23 C ATOM 361 CD2 TRP A 21 -1.063 -2.745 0.548 1.00 12.52 C ATOM 362 NE1 TRP A 21 -2.456 -2.823 2.295 1.00 63.10 N ATOM 363 CE2 TRP A 21 -2.276 -2.259 1.062 1.00 33.43 C ATOM 364 CE3 TRP A 21 -0.637 -2.310 -0.711 1.00 21.33 C ATOM 365 CZ2 TRP A 21 -3.071 -1.356 0.360 1.00 62.02 C ATOM 366 CZ3 TRP A 21 -1.425 -1.419 -1.410 1.00 72.21 C ATOM 367 CH2 TRP A 21 -2.629 -0.946 -0.872 1.00 20.31 C ATOM 0 H TRP A 21 0.583 -6.568 2.839 1.00 53.42 H new ATOM 0 HA TRP A 21 -0.046 -5.811 0.061 1.00 41.24 H new ATOM 0 HB2 TRP A 21 1.271 -4.413 2.408 1.00 52.22 H new ATOM 0 HB3 TRP A 21 1.476 -3.815 0.773 1.00 52.22 H new ATOM 0 HD1 TRP A 21 -1.291 -4.246 3.462 1.00 30.23 H new ATOM 0 HE1 TRP A 21 -3.247 -2.651 2.915 1.00 63.10 H new ATOM 0 HE3 TRP A 21 0.293 -2.666 -1.129 1.00 21.33 H new ATOM 0 HZ2 TRP A 21 -4.001 -0.992 0.771 1.00 62.02 H new ATOM 0 HZ3 TRP A 21 -1.109 -1.081 -2.386 1.00 72.21 H new ATOM 0 HH2 TRP A 21 -3.222 -0.244 -1.439 1.00 20.31 H new ATOM 378 N SER A 22 2.902 -6.861 1.194 1.00 31.30 N ATOM 379 CA SER A 22 4.328 -7.205 0.845 1.00 23.33 C ATOM 380 C SER A 22 4.479 -8.113 -0.408 1.00 11.15 C ATOM 381 O SER A 22 5.567 -8.229 -0.962 1.00 13.12 O ATOM 382 CB SER A 22 5.049 -7.847 2.059 1.00 53.01 C ATOM 383 OG SER A 22 6.413 -8.142 1.790 1.00 51.14 O ATOM 0 H SER A 22 2.656 -7.091 2.157 1.00 31.30 H new ATOM 0 HA SER A 22 4.801 -6.257 0.589 1.00 23.33 H new ATOM 0 HB2 SER A 22 4.988 -7.171 2.912 1.00 53.01 H new ATOM 0 HB3 SER A 22 4.531 -8.764 2.341 1.00 53.01 H new ATOM 0 HG SER A 22 6.945 -7.322 1.858 1.00 51.14 H new ATOM 389 N ALA A 23 3.383 -8.768 -0.825 1.00 43.32 N ATOM 390 CA ALA A 23 3.303 -9.524 -2.102 1.00 54.30 C ATOM 391 C ALA A 23 3.745 -8.676 -3.334 1.00 5.42 C ATOM 392 O ALA A 23 4.376 -9.194 -4.257 1.00 31.45 O ATOM 393 CB ALA A 23 1.870 -10.034 -2.278 1.00 2.34 C ATOM 0 H ALA A 23 2.517 -8.793 -0.287 1.00 43.32 H new ATOM 0 HA ALA A 23 3.999 -10.361 -2.049 1.00 54.30 H new ATOM 0 HB1 ALA A 23 1.794 -10.592 -3.212 1.00 2.34 H new ATOM 0 HB2 ALA A 23 1.611 -10.686 -1.444 1.00 2.34 H new ATOM 0 HB3 ALA A 23 1.183 -9.188 -2.304 1.00 2.34 H new ATOM 399 N ILE A 24 3.435 -7.364 -3.298 1.00 41.14 N ATOM 400 CA ILE A 24 3.792 -6.385 -4.357 1.00 3.14 C ATOM 401 C ILE A 24 5.328 -6.268 -4.588 1.00 21.04 C ATOM 402 O ILE A 24 5.766 -5.797 -5.636 1.00 13.53 O ATOM 403 CB ILE A 24 3.170 -4.953 -4.058 1.00 41.41 C ATOM 404 CG1 ILE A 24 3.767 -4.338 -2.748 1.00 31.04 C ATOM 405 CG2 ILE A 24 1.622 -5.030 -3.989 1.00 70.14 C ATOM 406 CD1 ILE A 24 3.136 -3.033 -2.273 1.00 74.41 C ATOM 0 H ILE A 24 2.922 -6.944 -2.523 1.00 41.14 H new ATOM 0 HA ILE A 24 3.358 -6.773 -5.278 1.00 3.14 H new ATOM 0 HB ILE A 24 3.437 -4.291 -4.881 1.00 41.41 H new ATOM 0 HG12 ILE A 24 3.675 -5.075 -1.950 1.00 31.04 H new ATOM 0 HG13 ILE A 24 4.832 -4.168 -2.903 1.00 31.04 H new ATOM 0 HG21 ILE A 24 1.217 -4.039 -3.783 1.00 70.14 H new ATOM 0 HG22 ILE A 24 1.233 -5.391 -4.941 1.00 70.14 H new ATOM 0 HG23 ILE A 24 1.327 -5.715 -3.194 1.00 70.14 H new ATOM 0 HD11 ILE A 24 3.629 -2.702 -1.359 1.00 74.41 H new ATOM 0 HD12 ILE A 24 3.251 -2.271 -3.044 1.00 74.41 H new ATOM 0 HD13 ILE A 24 2.076 -3.192 -2.076 1.00 74.41 H new ATOM 418 N SER A 25 6.130 -6.738 -3.610 1.00 34.13 N ATOM 419 CA SER A 25 7.618 -6.716 -3.687 1.00 51.43 C ATOM 420 C SER A 25 8.178 -7.740 -4.697 1.00 11.12 C ATOM 421 O SER A 25 9.350 -7.675 -5.066 1.00 62.14 O ATOM 422 CB SER A 25 8.226 -6.985 -2.292 1.00 11.54 C ATOM 423 OG SER A 25 8.126 -8.353 -1.923 1.00 42.11 O ATOM 0 H SER A 25 5.773 -7.143 -2.745 1.00 34.13 H new ATOM 0 HA SER A 25 7.900 -5.723 -4.037 1.00 51.43 H new ATOM 0 HB2 SER A 25 9.274 -6.684 -2.289 1.00 11.54 H new ATOM 0 HB3 SER A 25 7.716 -6.371 -1.550 1.00 11.54 H new ATOM 0 HG SER A 25 7.241 -8.524 -1.538 1.00 42.11 H new ATOM 429 N THR A 26 7.341 -8.706 -5.104 1.00 65.14 N ATOM 430 CA THR A 26 7.707 -9.749 -6.090 1.00 52.15 C ATOM 431 C THR A 26 6.724 -9.744 -7.287 1.00 44.31 C ATOM 432 O THR A 26 5.558 -9.358 -7.122 1.00 74.32 O ATOM 433 CB THR A 26 7.707 -11.183 -5.444 1.00 23.44 C ATOM 434 OG1 THR A 26 6.423 -11.464 -4.854 1.00 61.15 O ATOM 435 CG2 THR A 26 8.815 -11.342 -4.385 1.00 40.32 C ATOM 0 H THR A 26 6.385 -8.791 -4.760 1.00 65.14 H new ATOM 0 HA THR A 26 8.714 -9.516 -6.437 1.00 52.15 H new ATOM 0 HB THR A 26 7.907 -11.897 -6.243 1.00 23.44 H new ATOM 0 HG1 THR A 26 5.864 -10.660 -4.889 1.00 61.15 H new ATOM 0 HG21 THR A 26 8.776 -12.348 -3.966 1.00 40.32 H new ATOM 0 HG22 THR A 26 9.788 -11.179 -4.849 1.00 40.32 H new ATOM 0 HG23 THR A 26 8.666 -10.612 -3.590 1.00 40.32 H new ATOM 443 N PRO A 27 7.191 -10.156 -8.518 1.00 2.14 N ATOM 444 CA PRO A 27 6.302 -10.413 -9.687 1.00 62.44 C ATOM 445 C PRO A 27 5.117 -11.357 -9.341 1.00 41.34 C ATOM 446 O PRO A 27 3.967 -10.936 -9.383 1.00 2.34 O ATOM 447 CB PRO A 27 7.261 -11.055 -10.746 1.00 1.04 C ATOM 448 CG PRO A 27 8.516 -11.388 -9.983 1.00 1.42 C ATOM 449 CD PRO A 27 8.613 -10.346 -8.900 1.00 71.14 C ATOM 0 HA PRO A 27 5.821 -9.502 -10.043 1.00 62.44 H new ATOM 0 HB2 PRO A 27 6.819 -11.948 -11.189 1.00 1.04 H new ATOM 0 HB3 PRO A 27 7.467 -10.363 -11.563 1.00 1.04 H new ATOM 0 HG2 PRO A 27 8.464 -12.391 -9.560 1.00 1.42 H new ATOM 0 HG3 PRO A 27 9.390 -11.361 -10.634 1.00 1.42 H new ATOM 0 HD2 PRO A 27 9.218 -10.687 -8.060 1.00 71.14 H new ATOM 0 HD3 PRO A 27 9.064 -9.422 -9.263 1.00 71.14 H new ATOM 457 N THR A 28 5.427 -12.615 -8.959 1.00 42.13 N ATOM 458 CA THR A 28 4.418 -13.650 -8.592 1.00 13.31 C ATOM 459 C THR A 28 3.410 -13.175 -7.513 1.00 75.13 C ATOM 460 O THR A 28 2.208 -13.462 -7.601 1.00 44.01 O ATOM 461 CB THR A 28 5.120 -14.951 -8.079 1.00 24.11 C ATOM 462 OG1 THR A 28 5.867 -14.670 -6.879 1.00 1.20 O ATOM 463 CG2 THR A 28 6.068 -15.547 -9.133 1.00 53.11 C ATOM 0 H THR A 28 6.388 -12.950 -8.894 1.00 42.13 H new ATOM 0 HA THR A 28 3.859 -13.849 -9.506 1.00 13.31 H new ATOM 0 HB THR A 28 4.337 -15.680 -7.873 1.00 24.11 H new ATOM 0 HG1 THR A 28 6.301 -15.490 -6.564 1.00 1.20 H new ATOM 0 HG21 THR A 28 6.534 -16.449 -8.735 1.00 53.11 H new ATOM 0 HG22 THR A 28 5.503 -15.797 -10.031 1.00 53.11 H new ATOM 0 HG23 THR A 28 6.840 -14.819 -9.381 1.00 53.11 H new ATOM 471 N GLY A 29 3.919 -12.440 -6.508 1.00 14.24 N ATOM 472 CA GLY A 29 3.083 -11.886 -5.437 1.00 2.32 C ATOM 473 C GLY A 29 2.074 -10.841 -5.929 1.00 30.40 C ATOM 474 O GLY A 29 0.922 -10.853 -5.525 1.00 12.32 O ATOM 0 H GLY A 29 4.910 -12.217 -6.419 1.00 14.24 H new ATOM 0 HA2 GLY A 29 2.544 -12.699 -4.950 1.00 2.32 H new ATOM 0 HA3 GLY A 29 3.726 -11.432 -4.683 1.00 2.32 H new ATOM 478 N LEU A 30 2.538 -9.923 -6.783 1.00 75.41 N ATOM 479 CA LEU A 30 1.671 -8.939 -7.491 1.00 53.22 C ATOM 480 C LEU A 30 0.611 -9.635 -8.406 1.00 72.41 C ATOM 481 O LEU A 30 -0.571 -9.274 -8.384 1.00 65.03 O ATOM 482 CB LEU A 30 2.558 -7.947 -8.319 1.00 55.31 C ATOM 483 CG LEU A 30 2.662 -6.483 -7.792 1.00 40.33 C ATOM 484 CD1 LEU A 30 3.643 -5.639 -8.623 1.00 4.33 C ATOM 485 CD2 LEU A 30 1.286 -5.801 -7.708 1.00 35.11 C ATOM 0 H LEU A 30 3.528 -9.830 -7.013 1.00 75.41 H new ATOM 0 HA LEU A 30 1.116 -8.381 -6.737 1.00 53.22 H new ATOM 0 HB2 LEU A 30 3.565 -8.359 -8.375 1.00 55.31 H new ATOM 0 HB3 LEU A 30 2.170 -7.914 -9.337 1.00 55.31 H new ATOM 0 HG LEU A 30 3.060 -6.549 -6.779 1.00 40.33 H new ATOM 0 HD11 LEU A 30 3.684 -4.627 -8.220 1.00 4.33 H new ATOM 0 HD12 LEU A 30 4.636 -6.087 -8.580 1.00 4.33 H new ATOM 0 HD13 LEU A 30 3.306 -5.604 -9.659 1.00 4.33 H new ATOM 0 HD21 LEU A 30 1.406 -4.783 -7.336 1.00 35.11 H new ATOM 0 HD22 LEU A 30 0.832 -5.774 -8.699 1.00 35.11 H new ATOM 0 HD23 LEU A 30 0.643 -6.361 -7.029 1.00 35.11 H new ATOM 497 N GLU A 31 1.050 -10.644 -9.188 1.00 62.42 N ATOM 498 CA GLU A 31 0.172 -11.432 -10.105 1.00 71.52 C ATOM 499 C GLU A 31 -0.984 -12.142 -9.350 1.00 41.34 C ATOM 500 O GLU A 31 -2.060 -12.375 -9.915 1.00 35.04 O ATOM 501 CB GLU A 31 1.010 -12.501 -10.863 1.00 30.32 C ATOM 502 CG GLU A 31 2.107 -11.941 -11.785 1.00 62.00 C ATOM 503 CD GLU A 31 2.978 -13.021 -12.456 1.00 14.34 C ATOM 504 OE1 GLU A 31 2.414 -13.930 -13.108 1.00 41.43 O ATOM 505 OE2 GLU A 31 4.223 -12.955 -12.369 1.00 14.01 O ATOM 0 H GLU A 31 2.025 -10.943 -9.208 1.00 62.42 H new ATOM 0 HA GLU A 31 -0.266 -10.724 -10.808 1.00 71.52 H new ATOM 0 HB2 GLU A 31 1.475 -13.161 -10.131 1.00 30.32 H new ATOM 0 HB3 GLU A 31 0.334 -13.113 -11.460 1.00 30.32 H new ATOM 0 HG2 GLU A 31 1.640 -11.333 -12.560 1.00 62.00 H new ATOM 0 HG3 GLU A 31 2.751 -11.279 -11.206 1.00 62.00 H new ATOM 512 N ASP A 32 -0.729 -12.469 -8.073 1.00 41.42 N ATOM 513 CA ASP A 32 -1.663 -13.204 -7.192 1.00 61.02 C ATOM 514 C ASP A 32 -3.035 -12.477 -6.991 1.00 0.31 C ATOM 515 O ASP A 32 -4.083 -13.138 -6.943 1.00 4.14 O ATOM 516 CB ASP A 32 -0.953 -13.436 -5.829 1.00 54.21 C ATOM 517 CG ASP A 32 -1.797 -14.203 -4.797 1.00 15.34 C ATOM 518 OD1 ASP A 32 -1.855 -15.444 -4.870 1.00 62.50 O ATOM 519 OD2 ASP A 32 -2.395 -13.565 -3.898 1.00 44.35 O ATOM 0 H ASP A 32 0.148 -12.227 -7.611 1.00 41.42 H new ATOM 0 HA ASP A 32 -1.910 -14.152 -7.670 1.00 61.02 H new ATOM 0 HB2 ASP A 32 -0.028 -13.985 -6.004 1.00 54.21 H new ATOM 0 HB3 ASP A 32 -0.676 -12.470 -5.408 1.00 54.21 H new ATOM 524 N TRP A 33 -3.033 -11.127 -6.909 1.00 31.22 N ATOM 525 CA TRP A 33 -4.235 -10.358 -6.461 1.00 2.40 C ATOM 526 C TRP A 33 -4.410 -8.977 -7.147 1.00 41.41 C ATOM 527 O TRP A 33 -5.416 -8.299 -6.901 1.00 43.35 O ATOM 528 CB TRP A 33 -4.190 -10.182 -4.912 1.00 51.44 C ATOM 529 CG TRP A 33 -2.986 -9.407 -4.394 1.00 13.23 C ATOM 530 CD1 TRP A 33 -1.672 -9.737 -4.545 1.00 50.55 C ATOM 531 CD2 TRP A 33 -2.997 -8.207 -3.609 1.00 53.13 C ATOM 532 NE1 TRP A 33 -0.872 -8.808 -3.945 1.00 34.54 N ATOM 533 CE2 TRP A 33 -1.656 -7.864 -3.352 1.00 41.30 C ATOM 534 CE3 TRP A 33 -4.007 -7.389 -3.110 1.00 72.34 C ATOM 535 CZ2 TRP A 33 -1.301 -6.736 -2.617 1.00 62.53 C ATOM 536 CZ3 TRP A 33 -3.658 -6.276 -2.378 1.00 14.41 C ATOM 537 CH2 TRP A 33 -2.313 -5.954 -2.135 1.00 2.04 C ATOM 0 H TRP A 33 -2.228 -10.546 -7.142 1.00 31.22 H new ATOM 0 HA TRP A 33 -5.101 -10.946 -6.764 1.00 2.40 H new ATOM 0 HB2 TRP A 33 -5.098 -9.672 -4.591 1.00 51.44 H new ATOM 0 HB3 TRP A 33 -4.197 -11.168 -4.448 1.00 51.44 H new ATOM 0 HD1 TRP A 33 -1.314 -10.612 -5.067 1.00 50.55 H new ATOM 0 HE1 TRP A 33 0.148 -8.819 -3.941 1.00 34.54 H new ATOM 0 HE3 TRP A 33 -5.045 -7.623 -3.294 1.00 72.34 H new ATOM 0 HZ2 TRP A 33 -0.266 -6.488 -2.435 1.00 62.53 H new ATOM 0 HZ3 TRP A 33 -4.435 -5.638 -1.983 1.00 14.41 H new ATOM 0 HH2 TRP A 33 -2.074 -5.073 -1.557 1.00 2.04 H new ATOM 548 N PHE A 34 -3.461 -8.548 -8.000 1.00 14.32 N ATOM 549 CA PHE A 34 -3.511 -7.193 -8.625 1.00 45.30 C ATOM 550 C PHE A 34 -4.010 -7.255 -10.090 1.00 33.01 C ATOM 551 O PHE A 34 -5.115 -6.796 -10.398 1.00 21.42 O ATOM 552 CB PHE A 34 -2.121 -6.517 -8.541 1.00 12.02 C ATOM 553 CG PHE A 34 -2.067 -5.067 -9.042 1.00 33.34 C ATOM 554 CD1 PHE A 34 -2.651 -4.035 -8.306 1.00 31.24 C ATOM 555 CD2 PHE A 34 -1.421 -4.734 -10.240 1.00 62.35 C ATOM 556 CE1 PHE A 34 -2.600 -2.726 -8.753 1.00 22.54 C ATOM 557 CE2 PHE A 34 -1.373 -3.422 -10.683 1.00 43.44 C ATOM 558 CZ PHE A 34 -1.960 -2.419 -9.939 1.00 2.43 C ATOM 0 H PHE A 34 -2.654 -9.107 -8.277 1.00 14.32 H new ATOM 0 HA PHE A 34 -4.229 -6.591 -8.068 1.00 45.30 H new ATOM 0 HB2 PHE A 34 -1.787 -6.539 -7.504 1.00 12.02 H new ATOM 0 HB3 PHE A 34 -1.411 -7.110 -9.117 1.00 12.02 H new ATOM 0 HD1 PHE A 34 -3.150 -4.261 -7.375 1.00 31.24 H new ATOM 0 HD2 PHE A 34 -0.954 -5.511 -10.827 1.00 62.35 H new ATOM 0 HE1 PHE A 34 -3.062 -1.941 -8.173 1.00 22.54 H new ATOM 0 HE2 PHE A 34 -0.876 -3.184 -11.612 1.00 43.44 H new ATOM 0 HZ PHE A 34 -1.919 -1.396 -10.283 1.00 2.43 H new ATOM 568 N ALA A 35 -3.191 -7.841 -10.981 1.00 40.51 N ATOM 569 CA ALA A 35 -3.467 -7.895 -12.445 1.00 74.13 C ATOM 570 C ALA A 35 -3.393 -9.347 -12.987 1.00 34.24 C ATOM 571 O ALA A 35 -3.198 -10.297 -12.216 1.00 21.45 O ATOM 572 CB ALA A 35 -2.470 -6.980 -13.191 1.00 23.31 C ATOM 0 H ALA A 35 -2.316 -8.293 -10.716 1.00 40.51 H new ATOM 0 HA ALA A 35 -4.483 -7.539 -12.618 1.00 74.13 H new ATOM 0 HB1 ALA A 35 -2.671 -7.019 -14.262 1.00 23.31 H new ATOM 0 HB2 ALA A 35 -2.583 -5.955 -12.838 1.00 23.31 H new ATOM 0 HB3 ALA A 35 -1.452 -7.320 -13.001 1.00 23.31 H new ATOM 578 N ASP A 36 -3.575 -9.494 -14.324 1.00 24.11 N ATOM 579 CA ASP A 36 -3.418 -10.787 -15.048 1.00 4.54 C ATOM 580 C ASP A 36 -1.997 -11.351 -14.849 1.00 43.43 C ATOM 581 O ASP A 36 -1.807 -12.455 -14.324 1.00 32.53 O ATOM 582 CB ASP A 36 -3.667 -10.590 -16.568 1.00 24.01 C ATOM 583 CG ASP A 36 -5.097 -10.151 -16.920 1.00 52.40 C ATOM 584 OD1 ASP A 36 -5.524 -9.071 -16.462 1.00 75.21 O ATOM 585 OD2 ASP A 36 -5.796 -10.868 -17.678 1.00 35.42 O ATOM 0 H ASP A 36 -3.835 -8.719 -14.934 1.00 24.11 H new ATOM 0 HA ASP A 36 -4.149 -11.487 -14.643 1.00 4.54 H new ATOM 0 HB2 ASP A 36 -2.967 -9.845 -16.946 1.00 24.01 H new ATOM 0 HB3 ASP A 36 -3.448 -11.524 -17.085 1.00 24.01 H new ATOM 590 N LYS A 37 -1.010 -10.557 -15.277 1.00 52.55 N ATOM 591 CA LYS A 37 0.406 -10.885 -15.122 1.00 41.51 C ATOM 592 C LYS A 37 1.243 -9.602 -15.112 1.00 22.14 C ATOM 593 O LYS A 37 0.951 -8.651 -15.831 1.00 63.54 O ATOM 594 CB LYS A 37 0.912 -11.842 -16.244 1.00 63.53 C ATOM 595 CG LYS A 37 2.399 -12.212 -16.078 1.00 54.31 C ATOM 596 CD LYS A 37 2.940 -13.193 -17.126 1.00 64.22 C ATOM 597 CE LYS A 37 4.388 -13.616 -16.804 1.00 15.52 C ATOM 598 NZ LYS A 37 4.503 -14.258 -15.459 1.00 5.54 N ATOM 0 H LYS A 37 -1.175 -9.665 -15.743 1.00 52.55 H new ATOM 0 HA LYS A 37 0.520 -11.405 -14.171 1.00 41.51 H new ATOM 0 HB2 LYS A 37 0.312 -12.752 -16.239 1.00 63.53 H new ATOM 0 HB3 LYS A 37 0.765 -11.368 -17.215 1.00 63.53 H new ATOM 0 HG2 LYS A 37 2.992 -11.298 -16.116 1.00 54.31 H new ATOM 0 HG3 LYS A 37 2.543 -12.645 -15.088 1.00 54.31 H new ATOM 0 HD2 LYS A 37 2.301 -14.075 -17.165 1.00 64.22 H new ATOM 0 HD3 LYS A 37 2.905 -12.730 -18.112 1.00 64.22 H new ATOM 0 HE2 LYS A 37 4.740 -14.310 -17.567 1.00 15.52 H new ATOM 0 HE3 LYS A 37 5.038 -12.742 -16.844 1.00 15.52 H new ATOM 0 HZ1 LYS A 37 5.394 -14.791 -15.404 1.00 5.54 H new ATOM 0 HZ2 LYS A 37 4.492 -13.524 -14.722 1.00 5.54 H new ATOM 0 HZ3 LYS A 37 3.703 -14.906 -15.314 1.00 5.54 H new ATOM 612 N VAL A 38 2.291 -9.595 -14.282 1.00 75.40 N ATOM 613 CA VAL A 38 3.287 -8.526 -14.252 1.00 42.24 C ATOM 614 C VAL A 38 4.676 -9.133 -14.592 1.00 32.23 C ATOM 615 O VAL A 38 5.103 -10.124 -13.989 1.00 74.42 O ATOM 616 CB VAL A 38 3.287 -7.762 -12.867 1.00 51.53 C ATOM 617 CG1 VAL A 38 1.873 -7.216 -12.529 1.00 23.02 C ATOM 618 CG2 VAL A 38 3.823 -8.620 -11.701 1.00 14.34 C ATOM 0 H VAL A 38 2.471 -10.339 -13.607 1.00 75.40 H new ATOM 0 HA VAL A 38 3.037 -7.774 -15.000 1.00 42.24 H new ATOM 0 HB VAL A 38 3.974 -6.924 -12.986 1.00 51.53 H new ATOM 0 HG11 VAL A 38 1.903 -6.696 -11.572 1.00 23.02 H new ATOM 0 HG12 VAL A 38 1.554 -6.524 -13.308 1.00 23.02 H new ATOM 0 HG13 VAL A 38 1.168 -8.045 -12.469 1.00 23.02 H new ATOM 0 HG21 VAL A 38 3.797 -8.039 -10.779 1.00 14.34 H new ATOM 0 HG22 VAL A 38 3.202 -9.508 -11.587 1.00 14.34 H new ATOM 0 HG23 VAL A 38 4.850 -8.920 -11.912 1.00 14.34 H new ATOM 628 N VAL A 39 5.342 -8.580 -15.621 1.00 73.04 N ATOM 629 CA VAL A 39 6.697 -9.022 -16.017 1.00 14.10 C ATOM 630 C VAL A 39 7.737 -8.087 -15.367 1.00 72.43 C ATOM 631 O VAL A 39 7.840 -6.909 -15.719 1.00 22.03 O ATOM 632 CB VAL A 39 6.863 -8.993 -17.588 1.00 52.23 C ATOM 633 CG1 VAL A 39 8.290 -9.429 -18.030 1.00 54.25 C ATOM 634 CG2 VAL A 39 5.776 -9.859 -18.273 1.00 3.52 C ATOM 0 H VAL A 39 4.966 -7.826 -16.196 1.00 73.04 H new ATOM 0 HA VAL A 39 6.849 -10.047 -15.678 1.00 14.10 H new ATOM 0 HB VAL A 39 6.730 -7.960 -17.911 1.00 52.23 H new ATOM 0 HG11 VAL A 39 8.361 -9.395 -19.117 1.00 54.25 H new ATOM 0 HG12 VAL A 39 9.027 -8.753 -17.597 1.00 54.25 H new ATOM 0 HG13 VAL A 39 8.483 -10.445 -17.686 1.00 54.25 H new ATOM 0 HG21 VAL A 39 5.910 -9.824 -19.354 1.00 3.52 H new ATOM 0 HG22 VAL A 39 5.863 -10.890 -17.930 1.00 3.52 H new ATOM 0 HG23 VAL A 39 4.789 -9.473 -18.017 1.00 3.52 H new ATOM 644 N SER A 40 8.529 -8.640 -14.437 1.00 53.21 N ATOM 645 CA SER A 40 9.511 -7.859 -13.659 1.00 40.41 C ATOM 646 C SER A 40 10.894 -7.913 -14.317 1.00 54.11 C ATOM 647 O SER A 40 11.622 -8.906 -14.196 1.00 3.25 O ATOM 648 CB SER A 40 9.586 -8.377 -12.198 1.00 31.45 C ATOM 649 OG SER A 40 10.569 -7.683 -11.432 1.00 73.30 O ATOM 0 H SER A 40 8.510 -9.632 -14.202 1.00 53.21 H new ATOM 0 HA SER A 40 9.181 -6.820 -13.642 1.00 40.41 H new ATOM 0 HB2 SER A 40 8.611 -8.264 -11.723 1.00 31.45 H new ATOM 0 HB3 SER A 40 9.817 -9.442 -12.203 1.00 31.45 H new ATOM 0 HG SER A 40 10.583 -8.038 -10.519 1.00 73.30 H new ATOM 655 N ASP A 41 11.246 -6.833 -15.024 1.00 3.35 N ATOM 656 CA ASP A 41 12.622 -6.594 -15.474 1.00 4.24 C ATOM 657 C ASP A 41 13.366 -5.897 -14.319 1.00 74.33 C ATOM 658 O ASP A 41 13.369 -4.664 -14.243 1.00 51.23 O ATOM 659 CB ASP A 41 12.626 -5.741 -16.772 1.00 21.02 C ATOM 660 CG ASP A 41 14.029 -5.603 -17.384 1.00 74.21 C ATOM 661 OD1 ASP A 41 14.541 -6.602 -17.938 1.00 34.12 O ATOM 662 OD2 ASP A 41 14.636 -4.518 -17.304 1.00 41.41 O ATOM 0 H ASP A 41 10.589 -6.103 -15.299 1.00 3.35 H new ATOM 0 HA ASP A 41 13.126 -7.529 -15.720 1.00 4.24 H new ATOM 0 HB2 ASP A 41 11.958 -6.196 -17.503 1.00 21.02 H new ATOM 0 HB3 ASP A 41 12.230 -4.749 -16.552 1.00 21.02 H new ATOM 667 N ASP A 42 13.947 -6.736 -13.426 1.00 23.52 N ATOM 668 CA ASP A 42 14.406 -6.374 -12.056 1.00 64.23 C ATOM 669 C ASP A 42 14.861 -4.894 -11.874 1.00 30.10 C ATOM 670 O ASP A 42 15.780 -4.441 -12.566 1.00 43.43 O ATOM 671 CB ASP A 42 15.517 -7.360 -11.613 1.00 22.11 C ATOM 672 CG ASP A 42 14.993 -8.792 -11.454 1.00 72.23 C ATOM 673 OD1 ASP A 42 14.961 -9.545 -12.455 1.00 72.13 O ATOM 674 OD2 ASP A 42 14.581 -9.167 -10.331 1.00 4.14 O ATOM 0 H ASP A 42 14.116 -7.718 -13.645 1.00 23.52 H new ATOM 0 HA ASP A 42 13.532 -6.462 -11.411 1.00 64.23 H new ATOM 0 HB2 ASP A 42 16.323 -7.350 -12.347 1.00 22.11 H new ATOM 0 HB3 ASP A 42 15.942 -7.024 -10.667 1.00 22.11 H new ATOM 679 N LYS A 43 14.235 -4.224 -10.861 1.00 53.03 N ATOM 680 CA LYS A 43 14.169 -2.734 -10.649 1.00 22.30 C ATOM 681 C LYS A 43 12.947 -2.093 -11.376 1.00 45.13 C ATOM 682 O LYS A 43 12.623 -0.925 -11.126 1.00 61.33 O ATOM 683 CB LYS A 43 15.471 -1.945 -11.012 1.00 42.14 C ATOM 684 CG LYS A 43 16.729 -2.303 -10.183 1.00 64.11 C ATOM 685 CD LYS A 43 17.942 -1.412 -10.563 1.00 74.15 C ATOM 686 CE LYS A 43 19.233 -1.805 -9.826 1.00 21.04 C ATOM 687 NZ LYS A 43 19.702 -3.167 -10.196 1.00 55.54 N ATOM 0 H LYS A 43 13.735 -4.729 -10.129 1.00 53.03 H new ATOM 0 HA LYS A 43 14.050 -2.639 -9.570 1.00 22.30 H new ATOM 0 HB2 LYS A 43 15.693 -2.113 -12.066 1.00 42.14 H new ATOM 0 HB3 LYS A 43 15.272 -0.880 -10.894 1.00 42.14 H new ATOM 0 HG2 LYS A 43 16.510 -2.186 -9.122 1.00 64.11 H new ATOM 0 HG3 LYS A 43 16.983 -3.351 -10.342 1.00 64.11 H new ATOM 0 HD2 LYS A 43 18.110 -1.477 -11.638 1.00 74.15 H new ATOM 0 HD3 LYS A 43 17.705 -0.372 -10.340 1.00 74.15 H new ATOM 0 HE2 LYS A 43 20.014 -1.080 -10.054 1.00 21.04 H new ATOM 0 HE3 LYS A 43 19.062 -1.762 -8.750 1.00 21.04 H new ATOM 0 HZ1 LYS A 43 20.641 -3.335 -9.782 1.00 55.54 H new ATOM 0 HZ2 LYS A 43 19.032 -3.875 -9.834 1.00 55.54 H new ATOM 0 HZ3 LYS A 43 19.761 -3.244 -11.231 1.00 55.54 H new ATOM 701 N THR A 44 12.267 -2.871 -12.248 1.00 33.02 N ATOM 702 CA THR A 44 11.044 -2.428 -12.987 1.00 51.33 C ATOM 703 C THR A 44 9.997 -3.565 -13.051 1.00 30.03 C ATOM 704 O THR A 44 10.344 -4.718 -13.298 1.00 40.25 O ATOM 705 CB THR A 44 11.386 -1.959 -14.451 1.00 43.32 C ATOM 706 OG1 THR A 44 12.201 -0.774 -14.410 1.00 73.31 O ATOM 707 CG2 THR A 44 10.134 -1.694 -15.319 1.00 30.31 C ATOM 0 H THR A 44 12.545 -3.828 -12.466 1.00 33.02 H new ATOM 0 HA THR A 44 10.631 -1.582 -12.437 1.00 51.33 H new ATOM 0 HB THR A 44 11.929 -2.781 -14.919 1.00 43.32 H new ATOM 0 HG1 THR A 44 12.411 -0.489 -15.324 1.00 73.31 H new ATOM 0 HG21 THR A 44 10.442 -1.374 -16.314 1.00 30.31 H new ATOM 0 HG22 THR A 44 9.546 -2.608 -15.397 1.00 30.31 H new ATOM 0 HG23 THR A 44 9.530 -0.912 -14.858 1.00 30.31 H new ATOM 715 N VAL A 45 8.712 -3.219 -12.836 1.00 61.20 N ATOM 716 CA VAL A 45 7.567 -4.156 -12.944 1.00 51.43 C ATOM 717 C VAL A 45 6.573 -3.680 -14.049 1.00 21.23 C ATOM 718 O VAL A 45 6.027 -2.581 -13.964 1.00 61.20 O ATOM 719 CB VAL A 45 6.813 -4.291 -11.566 1.00 35.34 C ATOM 720 CG1 VAL A 45 5.607 -5.244 -11.690 1.00 62.13 C ATOM 721 CG2 VAL A 45 7.776 -4.759 -10.439 1.00 21.30 C ATOM 0 H VAL A 45 8.433 -2.272 -12.580 1.00 61.20 H new ATOM 0 HA VAL A 45 7.962 -5.134 -13.219 1.00 51.43 H new ATOM 0 HB VAL A 45 6.439 -3.304 -11.294 1.00 35.34 H new ATOM 0 HG11 VAL A 45 5.103 -5.321 -10.726 1.00 62.13 H new ATOM 0 HG12 VAL A 45 4.911 -4.855 -12.433 1.00 62.13 H new ATOM 0 HG13 VAL A 45 5.953 -6.231 -11.998 1.00 62.13 H new ATOM 0 HG21 VAL A 45 7.226 -4.842 -9.502 1.00 21.30 H new ATOM 0 HG22 VAL A 45 8.197 -5.730 -10.700 1.00 21.30 H new ATOM 0 HG23 VAL A 45 8.581 -4.033 -10.324 1.00 21.30 H new ATOM 731 N THR A 46 6.334 -4.535 -15.064 1.00 4.23 N ATOM 732 CA THR A 46 5.450 -4.224 -16.216 1.00 73.42 C ATOM 733 C THR A 46 4.063 -4.885 -16.035 1.00 20.31 C ATOM 734 O THR A 46 3.948 -6.103 -16.130 1.00 54.33 O ATOM 735 CB THR A 46 6.076 -4.730 -17.566 1.00 2.03 C ATOM 736 OG1 THR A 46 7.434 -4.274 -17.681 1.00 4.35 O ATOM 737 CG2 THR A 46 5.267 -4.254 -18.796 1.00 0.31 C ATOM 0 H THR A 46 6.748 -5.466 -15.112 1.00 4.23 H new ATOM 0 HA THR A 46 5.340 -3.140 -16.254 1.00 73.42 H new ATOM 0 HB THR A 46 6.049 -5.819 -17.548 1.00 2.03 H new ATOM 0 HG1 THR A 46 7.817 -4.595 -18.524 1.00 4.35 H new ATOM 0 HG21 THR A 46 5.736 -4.627 -19.707 1.00 0.31 H new ATOM 0 HG22 THR A 46 4.248 -4.635 -18.731 1.00 0.31 H new ATOM 0 HG23 THR A 46 5.247 -3.164 -18.819 1.00 0.31 H new ATOM 745 N PHE A 47 3.018 -4.081 -15.809 1.00 63.02 N ATOM 746 CA PHE A 47 1.640 -4.581 -15.609 1.00 50.24 C ATOM 747 C PHE A 47 0.967 -4.850 -16.972 1.00 61.42 C ATOM 748 O PHE A 47 0.705 -3.917 -17.737 1.00 73.32 O ATOM 749 CB PHE A 47 0.799 -3.557 -14.804 1.00 5.40 C ATOM 750 CG PHE A 47 1.531 -2.961 -13.610 1.00 63.50 C ATOM 751 CD1 PHE A 47 1.685 -3.683 -12.433 1.00 24.42 C ATOM 752 CD2 PHE A 47 2.074 -1.678 -13.673 1.00 34.11 C ATOM 753 CE1 PHE A 47 2.355 -3.146 -11.350 1.00 41.11 C ATOM 754 CE2 PHE A 47 2.743 -1.140 -12.592 1.00 4.45 C ATOM 755 CZ PHE A 47 2.884 -1.874 -11.427 1.00 71.34 C ATOM 0 H PHE A 47 3.096 -3.065 -15.758 1.00 63.02 H new ATOM 0 HA PHE A 47 1.693 -5.512 -15.045 1.00 50.24 H new ATOM 0 HB2 PHE A 47 0.492 -2.750 -15.470 1.00 5.40 H new ATOM 0 HB3 PHE A 47 -0.111 -4.044 -14.454 1.00 5.40 H new ATOM 0 HD1 PHE A 47 1.275 -4.680 -12.363 1.00 24.42 H new ATOM 0 HD2 PHE A 47 1.970 -1.098 -14.578 1.00 34.11 H new ATOM 0 HE1 PHE A 47 2.465 -3.722 -10.443 1.00 41.11 H new ATOM 0 HE2 PHE A 47 3.157 -0.145 -12.655 1.00 4.45 H new ATOM 0 HZ PHE A 47 3.406 -1.452 -10.581 1.00 71.34 H new ATOM 765 N CYS A 48 0.721 -6.132 -17.262 1.00 3.52 N ATOM 766 CA CYS A 48 0.076 -6.589 -18.512 1.00 52.12 C ATOM 767 C CYS A 48 -1.290 -7.241 -18.216 1.00 41.02 C ATOM 768 O CYS A 48 -1.384 -8.194 -17.430 1.00 31.43 O ATOM 769 CB CYS A 48 0.995 -7.594 -19.240 1.00 73.44 C ATOM 770 SG CYS A 48 0.289 -8.296 -20.749 1.00 62.24 S ATOM 0 H CYS A 48 0.965 -6.896 -16.632 1.00 3.52 H new ATOM 0 HA CYS A 48 -0.089 -5.723 -19.153 1.00 52.12 H new ATOM 0 HB2 CYS A 48 1.932 -7.096 -19.490 1.00 73.44 H new ATOM 0 HB3 CYS A 48 1.239 -8.407 -18.555 1.00 73.44 H new ATOM 0 HG CYS A 48 -1.006 -8.336 -20.644 1.00 62.24 H new ATOM 776 N TRP A 49 -2.347 -6.706 -18.841 1.00 64.34 N ATOM 777 CA TRP A 49 -3.724 -7.250 -18.749 1.00 2.32 C ATOM 778 C TRP A 49 -4.072 -8.054 -20.029 1.00 60.11 C ATOM 779 O TRP A 49 -3.171 -8.469 -20.770 1.00 61.13 O ATOM 780 CB TRP A 49 -4.723 -6.078 -18.527 1.00 24.53 C ATOM 781 CG TRP A 49 -4.494 -5.327 -17.235 1.00 21.53 C ATOM 782 CD1 TRP A 49 -5.017 -5.620 -16.006 1.00 11.53 C ATOM 783 CD2 TRP A 49 -3.665 -4.167 -17.046 1.00 72.33 C ATOM 784 NE1 TRP A 49 -4.572 -4.717 -15.075 1.00 72.01 N ATOM 785 CE2 TRP A 49 -3.743 -3.814 -15.688 1.00 74.41 C ATOM 786 CE3 TRP A 49 -2.871 -3.394 -17.900 1.00 52.32 C ATOM 787 CZ2 TRP A 49 -3.054 -2.725 -15.160 1.00 15.02 C ATOM 788 CZ3 TRP A 49 -2.189 -2.312 -17.379 1.00 2.23 C ATOM 789 CH2 TRP A 49 -2.285 -1.985 -16.020 1.00 42.12 C ATOM 0 H TRP A 49 -2.278 -5.877 -19.431 1.00 64.34 H new ATOM 0 HA TRP A 49 -3.794 -7.934 -17.903 1.00 2.32 H new ATOM 0 HB2 TRP A 49 -4.645 -5.381 -19.362 1.00 24.53 H new ATOM 0 HB3 TRP A 49 -5.740 -6.471 -18.534 1.00 24.53 H new ATOM 0 HD1 TRP A 49 -5.684 -6.444 -15.799 1.00 11.53 H new ATOM 0 HE1 TRP A 49 -4.818 -4.717 -14.085 1.00 72.01 H new ATOM 0 HE3 TRP A 49 -2.793 -3.639 -18.949 1.00 52.32 H new ATOM 0 HZ2 TRP A 49 -3.123 -2.473 -14.112 1.00 15.02 H new ATOM 0 HZ3 TRP A 49 -1.572 -1.709 -18.029 1.00 2.23 H new ATOM 0 HH2 TRP A 49 -1.741 -1.132 -15.642 1.00 42.12 H new ATOM 800 N GLY A 50 -5.380 -8.309 -20.259 1.00 43.32 N ATOM 801 CA GLY A 50 -5.860 -8.790 -21.570 1.00 2.44 C ATOM 802 C GLY A 50 -5.666 -7.739 -22.684 1.00 31.11 C ATOM 803 O GLY A 50 -5.602 -8.070 -23.873 1.00 63.14 O ATOM 0 H GLY A 50 -6.114 -8.191 -19.560 1.00 43.32 H new ATOM 0 HA2 GLY A 50 -5.327 -9.703 -21.837 1.00 2.44 H new ATOM 0 HA3 GLY A 50 -6.917 -9.048 -21.496 1.00 2.44 H new ATOM 807 N LYS A 51 -5.596 -6.461 -22.266 1.00 51.43 N ATOM 808 CA LYS A 51 -5.230 -5.315 -23.128 1.00 10.01 C ATOM 809 C LYS A 51 -3.743 -5.387 -23.573 1.00 43.01 C ATOM 810 O LYS A 51 -2.895 -5.914 -22.844 1.00 40.32 O ATOM 811 CB LYS A 51 -5.436 -3.990 -22.341 1.00 31.13 C ATOM 812 CG LYS A 51 -6.880 -3.718 -21.865 1.00 74.31 C ATOM 813 CD LYS A 51 -6.967 -2.512 -20.898 1.00 53.24 C ATOM 814 CE LYS A 51 -8.413 -2.170 -20.480 1.00 43.31 C ATOM 815 NZ LYS A 51 -9.254 -1.740 -21.628 1.00 71.22 N ATOM 0 H LYS A 51 -5.795 -6.188 -21.303 1.00 51.43 H new ATOM 0 HA LYS A 51 -5.866 -5.350 -24.012 1.00 10.01 H new ATOM 0 HB2 LYS A 51 -4.780 -3.999 -21.470 1.00 31.13 H new ATOM 0 HB3 LYS A 51 -5.117 -3.160 -22.971 1.00 31.13 H new ATOM 0 HG2 LYS A 51 -7.516 -3.532 -22.731 1.00 74.31 H new ATOM 0 HG3 LYS A 51 -7.269 -4.607 -21.368 1.00 74.31 H new ATOM 0 HD2 LYS A 51 -6.379 -2.727 -20.006 1.00 53.24 H new ATOM 0 HD3 LYS A 51 -6.517 -1.640 -21.373 1.00 53.24 H new ATOM 0 HE2 LYS A 51 -8.867 -3.042 -20.009 1.00 43.31 H new ATOM 0 HE3 LYS A 51 -8.393 -1.377 -19.732 1.00 43.31 H new ATOM 0 HZ1 LYS A 51 -10.176 -1.410 -21.278 1.00 71.22 H new ATOM 0 HZ2 LYS A 51 -8.779 -0.967 -22.136 1.00 71.22 H new ATOM 0 HZ3 LYS A 51 -9.396 -2.542 -22.274 1.00 71.22 H new ATOM 829 N THR A 52 -3.440 -4.834 -24.763 1.00 62.00 N ATOM 830 CA THR A 52 -2.043 -4.532 -25.186 1.00 12.42 C ATOM 831 C THR A 52 -1.533 -3.251 -24.474 1.00 32.12 C ATOM 832 O THR A 52 -0.332 -2.958 -24.462 1.00 1.12 O ATOM 833 CB THR A 52 -1.938 -4.331 -26.735 1.00 21.33 C ATOM 834 OG1 THR A 52 -2.767 -3.227 -27.145 1.00 42.15 O ATOM 835 CG2 THR A 52 -2.364 -5.593 -27.507 1.00 52.34 C ATOM 0 H THR A 52 -4.143 -4.583 -25.458 1.00 62.00 H new ATOM 0 HA THR A 52 -1.427 -5.386 -24.905 1.00 12.42 H new ATOM 0 HB THR A 52 -0.893 -4.125 -26.966 1.00 21.33 H new ATOM 0 HG1 THR A 52 -2.695 -3.106 -28.115 1.00 42.15 H new ATOM 0 HG21 THR A 52 -2.276 -5.411 -28.578 1.00 52.34 H new ATOM 0 HG22 THR A 52 -1.719 -6.426 -27.226 1.00 52.34 H new ATOM 0 HG23 THR A 52 -3.398 -5.837 -27.264 1.00 52.34 H new ATOM 843 N GLU A 53 -2.498 -2.498 -23.906 1.00 75.33 N ATOM 844 CA GLU A 53 -2.271 -1.324 -23.059 1.00 11.42 C ATOM 845 C GLU A 53 -1.643 -1.769 -21.724 1.00 74.52 C ATOM 846 O GLU A 53 -2.314 -2.324 -20.849 1.00 62.30 O ATOM 847 CB GLU A 53 -3.620 -0.588 -22.831 1.00 44.32 C ATOM 848 CG GLU A 53 -3.557 0.646 -21.913 1.00 41.42 C ATOM 849 CD GLU A 53 -4.934 1.305 -21.706 1.00 33.32 C ATOM 850 OE1 GLU A 53 -5.724 0.807 -20.872 1.00 44.41 O ATOM 851 OE2 GLU A 53 -5.245 2.308 -22.382 1.00 54.41 O ATOM 0 H GLU A 53 -3.489 -2.704 -24.033 1.00 75.33 H new ATOM 0 HA GLU A 53 -1.582 -0.634 -23.546 1.00 11.42 H new ATOM 0 HB2 GLU A 53 -4.013 -0.278 -23.800 1.00 44.32 H new ATOM 0 HB3 GLU A 53 -4.333 -1.296 -22.409 1.00 44.32 H new ATOM 0 HG2 GLU A 53 -3.150 0.353 -20.945 1.00 41.42 H new ATOM 0 HG3 GLU A 53 -2.870 1.376 -22.340 1.00 41.42 H new ATOM 858 N GLN A 54 -0.340 -1.552 -21.623 1.00 63.55 N ATOM 859 CA GLN A 54 0.486 -2.013 -20.500 1.00 73.15 C ATOM 860 C GLN A 54 1.407 -0.874 -20.006 1.00 3.42 C ATOM 861 O GLN A 54 1.854 -0.032 -20.796 1.00 43.31 O ATOM 862 CB GLN A 54 1.307 -3.242 -20.976 1.00 61.31 C ATOM 863 CG GLN A 54 2.334 -2.932 -22.089 1.00 43.42 C ATOM 864 CD GLN A 54 3.072 -4.161 -22.616 1.00 43.31 C ATOM 865 OE1 GLN A 54 4.121 -4.534 -22.107 1.00 4.52 O ATOM 866 NE2 GLN A 54 2.534 -4.792 -23.639 1.00 23.24 N ATOM 0 H GLN A 54 0.190 -1.041 -22.329 1.00 63.55 H new ATOM 0 HA GLN A 54 -0.143 -2.303 -19.658 1.00 73.15 H new ATOM 0 HB2 GLN A 54 1.833 -3.665 -20.121 1.00 61.31 H new ATOM 0 HB3 GLN A 54 0.618 -4.006 -21.337 1.00 61.31 H new ATOM 0 HG2 GLN A 54 1.819 -2.447 -22.919 1.00 43.42 H new ATOM 0 HG3 GLN A 54 3.064 -2.219 -21.706 1.00 43.42 H new ATOM 0 HE21 GLN A 54 1.659 -4.457 -24.042 1.00 23.24 H new ATOM 0 HE22 GLN A 54 2.993 -5.616 -24.029 1.00 23.24 H new ATOM 875 N ARG A 55 1.669 -0.835 -18.690 1.00 21.12 N ATOM 876 CA ARG A 55 2.525 0.203 -18.070 1.00 12.54 C ATOM 877 C ARG A 55 3.676 -0.445 -17.288 1.00 0.24 C ATOM 878 O ARG A 55 3.606 -1.608 -16.926 1.00 63.34 O ATOM 879 CB ARG A 55 1.713 1.138 -17.126 1.00 20.52 C ATOM 880 CG ARG A 55 0.627 2.019 -17.810 1.00 75.33 C ATOM 881 CD ARG A 55 -0.717 1.296 -18.034 1.00 21.12 C ATOM 882 NE ARG A 55 -1.700 2.177 -18.681 1.00 45.23 N ATOM 883 CZ ARG A 55 -3.006 2.108 -18.550 1.00 72.12 C ATOM 884 NH1 ARG A 55 -3.569 1.211 -17.793 1.00 12.43 N ATOM 885 NH2 ARG A 55 -3.739 2.964 -19.181 1.00 21.25 N ATOM 0 H ARG A 55 1.299 -1.514 -18.025 1.00 21.12 H new ATOM 0 HA ARG A 55 2.931 0.810 -18.880 1.00 12.54 H new ATOM 0 HB2 ARG A 55 1.229 0.524 -16.366 1.00 20.52 H new ATOM 0 HB3 ARG A 55 2.412 1.794 -16.608 1.00 20.52 H new ATOM 0 HG2 ARG A 55 0.454 2.905 -17.199 1.00 75.33 H new ATOM 0 HG3 ARG A 55 1.007 2.365 -18.771 1.00 75.33 H new ATOM 0 HD2 ARG A 55 -0.557 0.412 -18.651 1.00 21.12 H new ATOM 0 HD3 ARG A 55 -1.110 0.951 -17.078 1.00 21.12 H new ATOM 0 HE ARG A 55 -1.334 2.910 -19.288 1.00 45.23 H new ATOM 0 HH11 ARG A 55 -2.994 0.540 -17.284 1.00 12.43 H new ATOM 0 HH12 ARG A 55 -4.585 1.180 -17.709 1.00 12.43 H new ATOM 0 HH21 ARG A 55 -3.302 3.676 -19.767 1.00 21.25 H new ATOM 0 HH22 ARG A 55 -4.755 2.928 -19.093 1.00 21.25 H new ATOM 899 N GLN A 56 4.735 0.330 -17.036 1.00 44.32 N ATOM 900 CA GLN A 56 5.890 -0.097 -16.218 1.00 53.24 C ATOM 901 C GLN A 56 6.062 0.837 -15.004 1.00 2.41 C ATOM 902 O GLN A 56 5.784 2.039 -15.085 1.00 1.14 O ATOM 903 CB GLN A 56 7.191 -0.107 -17.059 1.00 13.34 C ATOM 904 CG GLN A 56 7.143 -1.005 -18.307 1.00 64.13 C ATOM 905 CD GLN A 56 8.501 -1.153 -18.995 1.00 73.35 C ATOM 906 OE1 GLN A 56 9.278 -2.042 -18.668 1.00 22.43 O ATOM 907 NE2 GLN A 56 8.799 -0.300 -19.952 1.00 32.45 N ATOM 0 H GLN A 56 4.822 1.281 -17.394 1.00 44.32 H new ATOM 0 HA GLN A 56 5.696 -1.110 -15.866 1.00 53.24 H new ATOM 0 HB2 GLN A 56 7.414 0.913 -17.371 1.00 13.34 H new ATOM 0 HB3 GLN A 56 8.015 -0.434 -16.425 1.00 13.34 H new ATOM 0 HG2 GLN A 56 6.777 -1.992 -18.023 1.00 64.13 H new ATOM 0 HG3 GLN A 56 6.426 -0.592 -19.017 1.00 64.13 H new ATOM 0 HE21 GLN A 56 8.136 0.432 -20.207 1.00 32.45 H new ATOM 0 HE22 GLN A 56 9.693 -0.371 -20.438 1.00 32.45 H new ATOM 916 N ALA A 57 6.558 0.280 -13.889 1.00 3.15 N ATOM 917 CA ALA A 57 6.785 1.037 -12.643 1.00 44.14 C ATOM 918 C ALA A 57 8.150 0.670 -12.033 1.00 64.22 C ATOM 919 O ALA A 57 8.388 -0.486 -11.666 1.00 32.12 O ATOM 920 CB ALA A 57 5.644 0.786 -11.635 1.00 63.43 C ATOM 0 H ALA A 57 6.813 -0.705 -13.823 1.00 3.15 H new ATOM 0 HA ALA A 57 6.793 2.101 -12.882 1.00 44.14 H new ATOM 0 HB1 ALA A 57 5.832 1.354 -10.724 1.00 63.43 H new ATOM 0 HB2 ALA A 57 4.697 1.103 -12.071 1.00 63.43 H new ATOM 0 HB3 ALA A 57 5.596 -0.277 -11.397 1.00 63.43 H new ATOM 926 N GLY A 58 9.038 1.671 -11.934 1.00 1.44 N ATOM 927 CA GLY A 58 10.358 1.492 -11.335 1.00 34.43 C ATOM 928 C GLY A 58 10.322 1.576 -9.812 1.00 62.00 C ATOM 929 O GLY A 58 9.740 2.517 -9.251 1.00 75.14 O ATOM 0 H GLY A 58 8.858 2.619 -12.266 1.00 1.44 H new ATOM 0 HA2 GLY A 58 10.761 0.524 -11.633 1.00 34.43 H new ATOM 0 HA3 GLY A 58 11.036 2.253 -11.722 1.00 34.43 H new ATOM 933 N ILE A 59 10.923 0.574 -9.138 1.00 21.11 N ATOM 934 CA ILE A 59 11.076 0.578 -7.671 1.00 24.01 C ATOM 935 C ILE A 59 12.101 1.669 -7.285 1.00 1.24 C ATOM 936 O ILE A 59 13.282 1.564 -7.640 1.00 52.23 O ATOM 937 CB ILE A 59 11.541 -0.818 -7.070 1.00 25.43 C ATOM 938 CG1 ILE A 59 10.496 -1.967 -7.325 1.00 55.31 C ATOM 939 CG2 ILE A 59 11.828 -0.681 -5.548 1.00 32.24 C ATOM 940 CD1 ILE A 59 10.399 -2.474 -8.754 1.00 63.51 C ATOM 0 H ILE A 59 11.312 -0.253 -9.591 1.00 21.11 H new ATOM 0 HA ILE A 59 10.092 0.780 -7.247 1.00 24.01 H new ATOM 0 HB ILE A 59 12.457 -1.098 -7.590 1.00 25.43 H new ATOM 0 HG12 ILE A 59 10.746 -2.808 -6.678 1.00 55.31 H new ATOM 0 HG13 ILE A 59 9.512 -1.611 -7.019 1.00 55.31 H new ATOM 0 HG21 ILE A 59 12.146 -1.645 -5.149 1.00 32.24 H new ATOM 0 HG22 ILE A 59 12.617 0.054 -5.391 1.00 32.24 H new ATOM 0 HG23 ILE A 59 10.923 -0.357 -5.035 1.00 32.24 H new ATOM 0 HD11 ILE A 59 9.649 -3.263 -8.810 1.00 63.51 H new ATOM 0 HD12 ILE A 59 10.113 -1.654 -9.412 1.00 63.51 H new ATOM 0 HD13 ILE A 59 11.365 -2.870 -9.066 1.00 63.51 H new ATOM 952 N VAL A 60 11.651 2.713 -6.575 1.00 61.01 N ATOM 953 CA VAL A 60 12.529 3.833 -6.167 1.00 3.21 C ATOM 954 C VAL A 60 13.178 3.570 -4.785 1.00 51.12 C ATOM 955 O VAL A 60 14.263 4.085 -4.501 1.00 1.24 O ATOM 956 CB VAL A 60 11.744 5.198 -6.166 1.00 35.15 C ATOM 957 CG1 VAL A 60 11.331 5.607 -7.606 1.00 23.55 C ATOM 958 CG2 VAL A 60 10.506 5.135 -5.237 1.00 73.24 C ATOM 0 H VAL A 60 10.683 2.811 -6.268 1.00 61.01 H new ATOM 0 HA VAL A 60 13.331 3.904 -6.902 1.00 3.21 H new ATOM 0 HB VAL A 60 12.416 5.962 -5.777 1.00 35.15 H new ATOM 0 HG11 VAL A 60 10.791 6.553 -7.575 1.00 23.55 H new ATOM 0 HG12 VAL A 60 12.223 5.719 -8.222 1.00 23.55 H new ATOM 0 HG13 VAL A 60 10.689 4.837 -8.033 1.00 23.55 H new ATOM 0 HG21 VAL A 60 9.986 6.093 -5.259 1.00 73.24 H new ATOM 0 HG22 VAL A 60 9.833 4.349 -5.580 1.00 73.24 H new ATOM 0 HG23 VAL A 60 10.827 4.919 -4.218 1.00 73.24 H new ATOM 968 N ALA A 61 12.500 2.759 -3.941 1.00 65.40 N ATOM 969 CA ALA A 61 13.027 2.331 -2.621 1.00 33.51 C ATOM 970 C ALA A 61 12.207 1.149 -2.058 1.00 72.34 C ATOM 971 O ALA A 61 10.980 1.097 -2.224 1.00 13.20 O ATOM 972 CB ALA A 61 13.035 3.503 -1.621 1.00 54.42 C ATOM 0 H ALA A 61 11.576 2.383 -4.153 1.00 65.40 H new ATOM 0 HA ALA A 61 14.055 2.000 -2.766 1.00 33.51 H new ATOM 0 HB1 ALA A 61 13.426 3.161 -0.663 1.00 54.42 H new ATOM 0 HB2 ALA A 61 13.666 4.305 -2.005 1.00 54.42 H new ATOM 0 HB3 ALA A 61 12.019 3.874 -1.487 1.00 54.42 H new ATOM 978 N ILE A 62 12.900 0.213 -1.377 1.00 21.11 N ATOM 979 CA ILE A 62 12.280 -1.001 -0.798 1.00 15.13 C ATOM 980 C ILE A 62 13.185 -1.643 0.301 1.00 34.23 C ATOM 981 O ILE A 62 14.409 -1.474 0.304 1.00 73.12 O ATOM 982 CB ILE A 62 11.960 -2.072 -1.924 1.00 42.14 C ATOM 983 CG1 ILE A 62 11.192 -3.302 -1.336 1.00 14.12 C ATOM 984 CG2 ILE A 62 13.252 -2.518 -2.659 1.00 5.11 C ATOM 985 CD1 ILE A 62 10.781 -4.349 -2.347 1.00 11.31 C ATOM 0 H ILE A 62 13.905 0.276 -1.212 1.00 21.11 H new ATOM 0 HA ILE A 62 11.345 -0.688 -0.332 1.00 15.13 H new ATOM 0 HB ILE A 62 11.309 -1.595 -2.657 1.00 42.14 H new ATOM 0 HG12 ILE A 62 11.820 -3.776 -0.582 1.00 14.12 H new ATOM 0 HG13 ILE A 62 10.298 -2.942 -0.826 1.00 14.12 H new ATOM 0 HG21 ILE A 62 13.000 -3.252 -3.425 1.00 5.11 H new ATOM 0 HG22 ILE A 62 13.722 -1.653 -3.126 1.00 5.11 H new ATOM 0 HG23 ILE A 62 13.943 -2.963 -1.943 1.00 5.11 H new ATOM 0 HD11 ILE A 62 10.256 -5.159 -1.840 1.00 11.31 H new ATOM 0 HD12 ILE A 62 10.122 -3.899 -3.090 1.00 11.31 H new ATOM 0 HD13 ILE A 62 11.668 -4.745 -2.841 1.00 11.31 H new ATOM 997 N ARG A 63 12.542 -2.341 1.253 1.00 43.24 N ATOM 998 CA ARG A 63 13.197 -3.255 2.205 1.00 63.04 C ATOM 999 C ARG A 63 12.134 -4.251 2.721 1.00 42.13 C ATOM 1000 O ARG A 63 11.362 -3.895 3.606 1.00 34.22 O ATOM 1001 CB ARG A 63 13.831 -2.467 3.388 1.00 40.43 C ATOM 1002 CG ARG A 63 14.572 -3.339 4.432 1.00 50.30 C ATOM 1003 CD ARG A 63 15.109 -2.510 5.608 1.00 33.12 C ATOM 1004 NE ARG A 63 15.994 -1.420 5.152 1.00 24.22 N ATOM 1005 CZ ARG A 63 16.304 -0.346 5.841 1.00 4.24 C ATOM 1006 NH1 ARG A 63 15.848 -0.161 7.044 1.00 60.25 N ATOM 1007 NH2 ARG A 63 17.066 0.545 5.306 1.00 52.21 N ATOM 0 H ARG A 63 11.532 -2.284 1.385 1.00 43.24 H new ATOM 0 HA ARG A 63 14.004 -3.792 1.706 1.00 63.04 H new ATOM 0 HB2 ARG A 63 14.532 -1.736 2.984 1.00 40.43 H new ATOM 0 HB3 ARG A 63 13.045 -1.908 3.896 1.00 40.43 H new ATOM 0 HG2 ARG A 63 13.894 -4.104 4.810 1.00 50.30 H new ATOM 0 HG3 ARG A 63 15.400 -3.857 3.948 1.00 50.30 H new ATOM 0 HD2 ARG A 63 14.273 -2.090 6.168 1.00 33.12 H new ATOM 0 HD3 ARG A 63 15.656 -3.160 6.291 1.00 33.12 H new ATOM 0 HE ARG A 63 16.400 -1.509 4.221 1.00 24.22 H new ATOM 0 HH11 ARG A 63 15.237 -0.857 7.470 1.00 60.25 H new ATOM 0 HH12 ARG A 63 16.101 0.681 7.562 1.00 60.25 H new ATOM 0 HH21 ARG A 63 17.420 0.411 4.359 1.00 52.21 H new ATOM 0 HH22 ARG A 63 17.315 1.384 5.830 1.00 52.21 H new ATOM 1021 N ALA A 64 12.112 -5.478 2.149 1.00 2.23 N ATOM 1022 CA ALA A 64 11.161 -6.580 2.499 1.00 43.11 C ATOM 1023 C ALA A 64 9.674 -6.122 2.687 1.00 14.12 C ATOM 1024 O ALA A 64 8.856 -6.221 1.765 1.00 54.22 O ATOM 1025 CB ALA A 64 11.669 -7.352 3.733 1.00 41.31 C ATOM 0 H ALA A 64 12.767 -5.744 1.413 1.00 2.23 H new ATOM 0 HA ALA A 64 11.141 -7.244 1.635 1.00 43.11 H new ATOM 0 HB1 ALA A 64 10.968 -8.150 3.977 1.00 41.31 H new ATOM 0 HB2 ALA A 64 12.647 -7.781 3.516 1.00 41.31 H new ATOM 0 HB3 ALA A 64 11.751 -6.671 4.580 1.00 41.31 H new ATOM 1031 N TYR A 65 9.355 -5.612 3.896 1.00 35.21 N ATOM 1032 CA TYR A 65 8.010 -5.105 4.269 1.00 45.35 C ATOM 1033 C TYR A 65 8.119 -3.847 5.183 1.00 75.11 C ATOM 1034 O TYR A 65 7.105 -3.264 5.580 1.00 63.03 O ATOM 1035 CB TYR A 65 7.209 -6.232 4.971 1.00 12.13 C ATOM 1036 CG TYR A 65 7.789 -6.704 6.320 1.00 23.22 C ATOM 1037 CD1 TYR A 65 8.843 -7.616 6.379 1.00 1.13 C ATOM 1038 CD2 TYR A 65 7.267 -6.246 7.535 1.00 65.45 C ATOM 1039 CE1 TYR A 65 9.354 -8.047 7.591 1.00 42.25 C ATOM 1040 CE2 TYR A 65 7.769 -6.675 8.743 1.00 10.34 C ATOM 1041 CZ TYR A 65 8.811 -7.575 8.770 1.00 44.42 C ATOM 1042 OH TYR A 65 9.314 -8.001 9.981 1.00 25.23 O ATOM 0 H TYR A 65 10.033 -5.538 4.654 1.00 35.21 H new ATOM 0 HA TYR A 65 7.482 -4.805 3.364 1.00 45.35 H new ATOM 0 HB2 TYR A 65 6.189 -5.884 5.134 1.00 12.13 H new ATOM 0 HB3 TYR A 65 7.151 -7.088 4.299 1.00 12.13 H new ATOM 0 HD1 TYR A 65 9.269 -7.993 5.461 1.00 1.13 H new ATOM 0 HD2 TYR A 65 6.451 -5.539 7.525 1.00 65.45 H new ATOM 0 HE1 TYR A 65 10.174 -8.749 7.615 1.00 42.25 H new ATOM 0 HE2 TYR A 65 7.347 -6.307 9.666 1.00 10.34 H new ATOM 0 HH TYR A 65 8.820 -7.571 10.710 1.00 25.23 H new ATOM 1052 N SER A 66 9.371 -3.462 5.517 1.00 12.42 N ATOM 1053 CA SER A 66 9.698 -2.259 6.331 1.00 74.22 C ATOM 1054 C SER A 66 9.327 -0.945 5.599 1.00 23.24 C ATOM 1055 O SER A 66 9.126 0.089 6.243 1.00 32.44 O ATOM 1056 CB SER A 66 11.210 -2.250 6.657 1.00 74.30 C ATOM 1057 OG SER A 66 11.628 -3.482 7.234 1.00 63.12 O ATOM 0 H SER A 66 10.198 -3.983 5.227 1.00 12.42 H new ATOM 0 HA SER A 66 9.110 -2.311 7.248 1.00 74.22 H new ATOM 0 HB2 SER A 66 11.778 -2.063 5.746 1.00 74.30 H new ATOM 0 HB3 SER A 66 11.430 -1.433 7.344 1.00 74.30 H new ATOM 0 HG SER A 66 12.588 -3.444 7.426 1.00 63.12 H new ATOM 1063 N PHE A 67 9.270 -1.027 4.252 1.00 33.15 N ATOM 1064 CA PHE A 67 8.830 0.057 3.333 1.00 40.31 C ATOM 1065 C PHE A 67 8.993 -0.418 1.873 1.00 23.34 C ATOM 1066 O PHE A 67 9.932 -1.150 1.557 1.00 43.25 O ATOM 1067 CB PHE A 67 9.565 1.425 3.548 1.00 60.55 C ATOM 1068 CG PHE A 67 11.079 1.423 3.305 1.00 3.43 C ATOM 1069 CD1 PHE A 67 11.972 1.113 4.332 1.00 14.22 C ATOM 1070 CD2 PHE A 67 11.609 1.740 2.051 1.00 54.02 C ATOM 1071 CE1 PHE A 67 13.336 1.119 4.113 1.00 13.11 C ATOM 1072 CE2 PHE A 67 12.972 1.744 1.836 1.00 0.24 C ATOM 1073 CZ PHE A 67 13.835 1.434 2.865 1.00 41.11 C ATOM 0 H PHE A 67 9.537 -1.876 3.753 1.00 33.15 H new ATOM 0 HA PHE A 67 7.783 0.254 3.563 1.00 40.31 H new ATOM 0 HB2 PHE A 67 9.113 2.165 2.888 1.00 60.55 H new ATOM 0 HB3 PHE A 67 9.382 1.756 4.570 1.00 60.55 H new ATOM 0 HD1 PHE A 67 11.591 0.865 5.312 1.00 14.22 H new ATOM 0 HD2 PHE A 67 10.942 1.985 1.238 1.00 54.02 H new ATOM 0 HE1 PHE A 67 14.013 0.877 4.919 1.00 13.11 H new ATOM 0 HE2 PHE A 67 13.363 1.990 0.860 1.00 0.24 H new ATOM 0 HZ PHE A 67 14.902 1.438 2.695 1.00 41.11 H new ATOM 1083 N ILE A 68 8.052 -0.039 1.002 1.00 70.12 N ATOM 1084 CA ILE A 68 8.141 -0.290 -0.448 1.00 61.24 C ATOM 1085 C ILE A 68 7.379 0.804 -1.237 1.00 55.11 C ATOM 1086 O ILE A 68 6.268 1.178 -0.867 1.00 75.54 O ATOM 1087 CB ILE A 68 7.604 -1.723 -0.826 1.00 34.42 C ATOM 1088 CG1 ILE A 68 7.722 -1.962 -2.366 1.00 60.05 C ATOM 1089 CG2 ILE A 68 6.162 -1.952 -0.307 1.00 40.54 C ATOM 1090 CD1 ILE A 68 7.278 -3.323 -2.832 1.00 23.53 C ATOM 0 H ILE A 68 7.202 0.453 1.280 1.00 70.12 H new ATOM 0 HA ILE A 68 9.195 -0.251 -0.725 1.00 61.24 H new ATOM 0 HB ILE A 68 8.230 -2.463 -0.327 1.00 34.42 H new ATOM 0 HG12 ILE A 68 7.130 -1.206 -2.883 1.00 60.05 H new ATOM 0 HG13 ILE A 68 8.760 -1.813 -2.664 1.00 60.05 H new ATOM 0 HG21 ILE A 68 5.829 -2.951 -0.588 1.00 40.54 H new ATOM 0 HG22 ILE A 68 6.147 -1.856 0.779 1.00 40.54 H new ATOM 0 HG23 ILE A 68 5.495 -1.210 -0.746 1.00 40.54 H new ATOM 0 HD11 ILE A 68 7.397 -3.394 -3.913 1.00 23.53 H new ATOM 0 HD12 ILE A 68 7.885 -4.089 -2.349 1.00 23.53 H new ATOM 0 HD13 ILE A 68 6.230 -3.473 -2.572 1.00 23.53 H new ATOM 1102 N ARG A 69 7.997 1.327 -2.320 1.00 75.54 N ATOM 1103 CA ARG A 69 7.380 2.365 -3.175 1.00 4.00 C ATOM 1104 C ARG A 69 7.820 2.235 -4.648 1.00 62.12 C ATOM 1105 O ARG A 69 9.007 2.065 -4.956 1.00 4.04 O ATOM 1106 CB ARG A 69 7.628 3.827 -2.651 1.00 2.42 C ATOM 1107 CG ARG A 69 9.026 4.164 -2.042 1.00 34.31 C ATOM 1108 CD ARG A 69 9.191 3.707 -0.569 1.00 40.51 C ATOM 1109 NE ARG A 69 10.202 4.494 0.165 1.00 33.25 N ATOM 1110 CZ ARG A 69 10.029 5.023 1.361 1.00 21.30 C ATOM 1111 NH1 ARG A 69 8.936 4.831 2.035 1.00 64.41 N ATOM 1112 NH2 ARG A 69 10.959 5.744 1.869 1.00 42.31 N ATOM 0 H ARG A 69 8.929 1.044 -2.624 1.00 75.54 H new ATOM 0 HA ARG A 69 6.306 2.185 -3.120 1.00 4.00 H new ATOM 0 HB2 ARG A 69 7.452 4.512 -3.480 1.00 2.42 H new ATOM 0 HB3 ARG A 69 6.874 4.042 -1.894 1.00 2.42 H new ATOM 0 HG2 ARG A 69 9.800 3.693 -2.648 1.00 34.31 H new ATOM 0 HG3 ARG A 69 9.188 5.240 -2.099 1.00 34.31 H new ATOM 0 HD2 ARG A 69 8.232 3.790 -0.058 1.00 40.51 H new ATOM 0 HD3 ARG A 69 9.473 2.654 -0.549 1.00 40.51 H new ATOM 0 HE ARG A 69 11.104 4.640 -0.288 1.00 33.25 H new ATOM 0 HH11 ARG A 69 8.188 4.260 1.641 1.00 64.41 H new ATOM 0 HH12 ARG A 69 8.826 5.251 2.958 1.00 64.41 H new ATOM 0 HH21 ARG A 69 11.822 5.904 1.349 1.00 42.31 H new ATOM 0 HH22 ARG A 69 10.836 6.158 2.793 1.00 42.31 H new ATOM 1126 N PHE A 70 6.820 2.313 -5.544 1.00 20.32 N ATOM 1127 CA PHE A 70 7.009 2.315 -7.008 1.00 51.53 C ATOM 1128 C PHE A 70 6.817 3.740 -7.568 1.00 65.33 C ATOM 1129 O PHE A 70 6.351 4.649 -6.864 1.00 72.25 O ATOM 1130 CB PHE A 70 5.990 1.354 -7.679 1.00 41.54 C ATOM 1131 CG PHE A 70 6.064 -0.093 -7.191 1.00 61.22 C ATOM 1132 CD1 PHE A 70 5.392 -0.497 -6.036 1.00 52.24 C ATOM 1133 CD2 PHE A 70 6.815 -1.048 -7.880 1.00 13.14 C ATOM 1134 CE1 PHE A 70 5.467 -1.800 -5.591 1.00 4.25 C ATOM 1135 CE2 PHE A 70 6.887 -2.352 -7.428 1.00 35.31 C ATOM 1136 CZ PHE A 70 6.216 -2.725 -6.286 1.00 12.14 C ATOM 0 H PHE A 70 5.840 2.378 -5.267 1.00 20.32 H new ATOM 0 HA PHE A 70 8.022 1.977 -7.227 1.00 51.53 H new ATOM 0 HB2 PHE A 70 4.983 1.732 -7.502 1.00 41.54 H new ATOM 0 HB3 PHE A 70 6.152 1.369 -8.757 1.00 41.54 H new ATOM 0 HD1 PHE A 70 4.805 0.221 -5.483 1.00 52.24 H new ATOM 0 HD2 PHE A 70 7.346 -0.764 -8.777 1.00 13.14 H new ATOM 0 HE1 PHE A 70 4.938 -2.096 -4.697 1.00 4.25 H new ATOM 0 HE2 PHE A 70 7.471 -3.080 -7.972 1.00 35.31 H new ATOM 0 HZ PHE A 70 6.276 -3.744 -5.934 1.00 12.14 H new ATOM 1146 N HIS A 71 7.170 3.914 -8.847 1.00 61.44 N ATOM 1147 CA HIS A 71 6.936 5.164 -9.592 1.00 31.12 C ATOM 1148 C HIS A 71 6.767 4.855 -11.095 1.00 62.42 C ATOM 1149 O HIS A 71 7.547 4.090 -11.664 1.00 2.43 O ATOM 1150 CB HIS A 71 8.101 6.157 -9.366 1.00 54.23 C ATOM 1151 CG HIS A 71 7.907 7.473 -10.065 1.00 63.34 C ATOM 1152 ND1 HIS A 71 8.468 7.774 -11.282 1.00 75.40 N ATOM 1153 CD2 HIS A 71 7.170 8.550 -9.724 1.00 1.22 C ATOM 1154 CE1 HIS A 71 8.074 8.971 -11.661 1.00 40.02 C ATOM 1155 NE2 HIS A 71 7.286 9.466 -10.736 1.00 31.10 N ATOM 0 H HIS A 71 7.629 3.190 -9.400 1.00 61.44 H new ATOM 0 HA HIS A 71 6.021 5.628 -9.224 1.00 31.12 H new ATOM 0 HB2 HIS A 71 8.215 6.335 -8.297 1.00 54.23 H new ATOM 0 HB3 HIS A 71 9.029 5.703 -9.714 1.00 54.23 H new ATOM 0 HD2 HIS A 71 6.594 8.669 -8.818 1.00 1.22 H new ATOM 0 HE1 HIS A 71 8.353 9.464 -12.581 1.00 40.02 H new ATOM 0 HE2 HIS A 71 6.835 10.380 -10.766 1.00 31.10 H new ATOM 1164 N TRP A 72 5.765 5.484 -11.730 1.00 11.21 N ATOM 1165 CA TRP A 72 5.408 5.219 -13.141 1.00 20.32 C ATOM 1166 C TRP A 72 6.506 5.735 -14.109 1.00 51.24 C ATOM 1167 O TRP A 72 6.902 6.901 -14.063 1.00 60.43 O ATOM 1168 CB TRP A 72 4.029 5.855 -13.483 1.00 64.10 C ATOM 1169 CG TRP A 72 2.886 5.349 -12.627 1.00 1.42 C ATOM 1170 CD1 TRP A 72 2.650 5.639 -11.307 1.00 10.41 C ATOM 1171 CD2 TRP A 72 1.819 4.480 -13.037 1.00 73.12 C ATOM 1172 NE1 TRP A 72 1.526 4.993 -10.876 1.00 43.25 N ATOM 1173 CE2 TRP A 72 0.993 4.283 -11.918 1.00 21.34 C ATOM 1174 CE3 TRP A 72 1.484 3.854 -14.243 1.00 2.51 C ATOM 1175 CZ2 TRP A 72 -0.143 3.480 -11.964 1.00 61.22 C ATOM 1176 CZ3 TRP A 72 0.350 3.059 -14.285 1.00 4.31 C ATOM 1177 CH2 TRP A 72 -0.452 2.881 -13.152 1.00 12.11 C ATOM 0 H TRP A 72 5.178 6.190 -11.285 1.00 11.21 H new ATOM 0 HA TRP A 72 5.334 4.139 -13.271 1.00 20.32 H new ATOM 0 HB2 TRP A 72 4.102 6.937 -13.371 1.00 64.10 H new ATOM 0 HB3 TRP A 72 3.800 5.658 -14.530 1.00 64.10 H new ATOM 0 HD1 TRP A 72 3.264 6.285 -10.697 1.00 10.41 H new ATOM 0 HE1 TRP A 72 1.145 5.033 -9.931 1.00 43.25 H new ATOM 0 HE3 TRP A 72 2.096 3.988 -15.122 1.00 2.51 H new ATOM 0 HZ2 TRP A 72 -0.760 3.335 -11.089 1.00 61.22 H new ATOM 0 HZ3 TRP A 72 0.080 2.568 -15.208 1.00 4.31 H new ATOM 0 HH2 TRP A 72 -1.332 2.258 -13.218 1.00 12.11 H new ATOM 1188 N LEU A 73 7.006 4.833 -14.969 1.00 71.32 N ATOM 1189 CA LEU A 73 8.017 5.164 -16.003 1.00 74.41 C ATOM 1190 C LEU A 73 7.361 5.815 -17.250 1.00 55.53 C ATOM 1191 O LEU A 73 8.049 6.351 -18.124 1.00 24.43 O ATOM 1192 CB LEU A 73 8.778 3.874 -16.398 1.00 34.44 C ATOM 1193 CG LEU A 73 9.520 3.137 -15.239 1.00 31.25 C ATOM 1194 CD1 LEU A 73 10.199 1.861 -15.751 1.00 32.33 C ATOM 1195 CD2 LEU A 73 10.539 4.059 -14.530 1.00 63.23 C ATOM 0 H LEU A 73 6.725 3.852 -14.972 1.00 71.32 H new ATOM 0 HA LEU A 73 8.717 5.891 -15.590 1.00 74.41 H new ATOM 0 HB2 LEU A 73 8.068 3.180 -16.848 1.00 34.44 H new ATOM 0 HB3 LEU A 73 9.508 4.127 -17.167 1.00 34.44 H new ATOM 0 HG LEU A 73 8.770 2.854 -14.500 1.00 31.25 H new ATOM 0 HD11 LEU A 73 10.710 1.364 -14.926 1.00 32.33 H new ATOM 0 HD12 LEU A 73 9.447 1.191 -16.168 1.00 32.33 H new ATOM 0 HD13 LEU A 73 10.924 2.119 -16.523 1.00 32.33 H new ATOM 0 HD21 LEU A 73 11.033 3.508 -13.730 1.00 63.23 H new ATOM 0 HD22 LEU A 73 11.283 4.400 -15.250 1.00 63.23 H new ATOM 0 HD23 LEU A 73 10.020 4.920 -14.110 1.00 63.23 H new ATOM 1207 N ASP A 74 6.021 5.743 -17.306 1.00 21.34 N ATOM 1208 CA ASP A 74 5.203 6.275 -18.414 1.00 43.34 C ATOM 1209 C ASP A 74 4.816 7.762 -18.193 1.00 51.41 C ATOM 1210 O ASP A 74 4.332 8.422 -19.122 1.00 10.33 O ATOM 1211 CB ASP A 74 3.924 5.405 -18.539 1.00 54.23 C ATOM 1212 CG ASP A 74 4.248 3.915 -18.713 1.00 55.33 C ATOM 1213 OD1 ASP A 74 4.531 3.246 -17.700 1.00 74.30 O ATOM 1214 OD2 ASP A 74 4.261 3.418 -19.862 1.00 53.12 O ATOM 0 H ASP A 74 5.464 5.307 -16.571 1.00 21.34 H new ATOM 0 HA ASP A 74 5.790 6.233 -19.332 1.00 43.34 H new ATOM 0 HB2 ASP A 74 3.308 5.539 -17.650 1.00 54.23 H new ATOM 0 HB3 ASP A 74 3.335 5.748 -19.390 1.00 54.23 H new ATOM 1219 N ASP A 75 5.019 8.281 -16.959 1.00 72.25 N ATOM 1220 CA ASP A 75 4.551 9.635 -16.571 1.00 0.51 C ATOM 1221 C ASP A 75 5.732 10.599 -16.279 1.00 11.31 C ATOM 1222 O ASP A 75 6.864 10.171 -16.034 1.00 12.24 O ATOM 1223 CB ASP A 75 3.577 9.523 -15.347 1.00 35.44 C ATOM 1224 CG ASP A 75 4.212 9.846 -13.971 1.00 12.11 C ATOM 1225 OD1 ASP A 75 4.971 9.020 -13.430 1.00 51.13 O ATOM 1226 OD2 ASP A 75 3.981 10.959 -13.457 1.00 43.35 O ATOM 0 H ASP A 75 5.504 7.782 -16.213 1.00 72.25 H new ATOM 0 HA ASP A 75 4.009 10.067 -17.413 1.00 0.51 H new ATOM 0 HB2 ASP A 75 2.736 10.197 -15.509 1.00 35.44 H new ATOM 0 HB3 ASP A 75 3.173 8.511 -15.315 1.00 35.44 H new ATOM 1231 N GLU A 76 5.425 11.907 -16.280 1.00 74.42 N ATOM 1232 CA GLU A 76 6.369 12.982 -15.895 1.00 33.05 C ATOM 1233 C GLU A 76 5.611 14.106 -15.132 1.00 71.30 C ATOM 1234 O GLU A 76 6.056 15.254 -15.068 1.00 10.52 O ATOM 1235 CB GLU A 76 7.087 13.528 -17.160 1.00 75.31 C ATOM 1236 CG GLU A 76 6.148 14.137 -18.222 1.00 31.25 C ATOM 1237 CD GLU A 76 6.906 14.672 -19.447 1.00 72.44 C ATOM 1238 OE1 GLU A 76 7.425 15.811 -19.390 1.00 23.11 O ATOM 1239 OE2 GLU A 76 6.999 13.954 -20.465 1.00 42.30 O ATOM 0 H GLU A 76 4.506 12.257 -16.550 1.00 74.42 H new ATOM 0 HA GLU A 76 7.130 12.582 -15.225 1.00 33.05 H new ATOM 0 HB2 GLU A 76 7.807 14.287 -16.853 1.00 75.31 H new ATOM 0 HB3 GLU A 76 7.654 12.717 -17.618 1.00 75.31 H new ATOM 0 HG2 GLU A 76 5.432 13.381 -18.545 1.00 31.25 H new ATOM 0 HG3 GLU A 76 5.575 14.948 -17.772 1.00 31.25 H new ATOM 1246 N ASN A 77 4.488 13.725 -14.498 1.00 65.43 N ATOM 1247 CA ASN A 77 3.524 14.665 -13.870 1.00 11.33 C ATOM 1248 C ASN A 77 3.506 14.528 -12.329 1.00 22.30 C ATOM 1249 O ASN A 77 3.941 13.508 -11.791 1.00 74.43 O ATOM 1250 CB ASN A 77 2.099 14.373 -14.413 1.00 33.52 C ATOM 1251 CG ASN A 77 2.006 14.343 -15.938 1.00 13.40 C ATOM 1252 OD1 ASN A 77 2.713 15.056 -16.640 1.00 42.40 O ATOM 1253 ND2 ASN A 77 1.138 13.498 -16.456 1.00 51.34 N ATOM 0 H ASN A 77 4.215 12.747 -14.403 1.00 65.43 H new ATOM 0 HA ASN A 77 3.837 15.679 -14.119 1.00 11.33 H new ATOM 0 HB2 ASN A 77 1.762 13.414 -14.020 1.00 33.52 H new ATOM 0 HB3 ASN A 77 1.415 15.131 -14.033 1.00 33.52 H new ATOM 0 HD21 ASN A 77 1.040 13.424 -17.469 1.00 51.34 H new ATOM 0 HD22 ASN A 77 0.564 12.918 -15.844 1.00 51.34 H new ATOM 1260 N GLU A 78 3.007 15.592 -11.649 1.00 4.52 N ATOM 1261 CA GLU A 78 2.672 15.600 -10.196 1.00 23.32 C ATOM 1262 C GLU A 78 3.763 14.979 -9.274 1.00 54.33 C ATOM 1263 O GLU A 78 4.726 15.655 -8.905 1.00 23.13 O ATOM 1264 CB GLU A 78 1.274 14.939 -9.965 1.00 4.11 C ATOM 1265 CG GLU A 78 0.082 15.722 -10.548 1.00 65.15 C ATOM 1266 CD GLU A 78 -0.135 17.074 -9.843 1.00 22.31 C ATOM 1267 OE1 GLU A 78 -0.592 17.064 -8.678 1.00 20.24 O ATOM 1268 OE2 GLU A 78 0.180 18.138 -10.424 1.00 32.34 O ATOM 0 H GLU A 78 2.822 16.487 -12.102 1.00 4.52 H new ATOM 0 HA GLU A 78 2.633 16.648 -9.899 1.00 23.32 H new ATOM 0 HB2 GLU A 78 1.283 13.941 -10.403 1.00 4.11 H new ATOM 0 HB3 GLU A 78 1.119 14.815 -8.893 1.00 4.11 H new ATOM 0 HG2 GLU A 78 0.249 15.893 -11.612 1.00 65.15 H new ATOM 0 HG3 GLU A 78 -0.822 15.120 -10.460 1.00 65.15 H new ATOM 1275 N ARG A 79 3.614 13.673 -8.946 1.00 24.12 N ATOM 1276 CA ARG A 79 4.498 12.920 -8.014 1.00 40.02 C ATOM 1277 C ARG A 79 4.460 11.421 -8.393 1.00 41.34 C ATOM 1278 O ARG A 79 5.498 10.796 -8.600 1.00 11.14 O ATOM 1279 CB ARG A 79 4.067 13.096 -6.513 1.00 44.22 C ATOM 1280 CG ARG A 79 4.288 14.508 -5.918 1.00 13.41 C ATOM 1281 CD ARG A 79 3.851 14.630 -4.444 1.00 10.04 C ATOM 1282 NE ARG A 79 4.041 16.001 -3.933 1.00 13.55 N ATOM 1283 CZ ARG A 79 5.071 16.427 -3.220 1.00 73.55 C ATOM 1284 NH1 ARG A 79 6.064 15.644 -2.922 1.00 72.25 N ATOM 1285 NH2 ARG A 79 5.104 17.659 -2.831 1.00 22.10 N ATOM 0 H ARG A 79 2.862 13.099 -9.328 1.00 24.12 H new ATOM 0 HA ARG A 79 5.508 13.318 -8.109 1.00 40.02 H new ATOM 0 HB2 ARG A 79 3.010 12.845 -6.425 1.00 44.22 H new ATOM 0 HB3 ARG A 79 4.617 12.375 -5.908 1.00 44.22 H new ATOM 0 HG2 ARG A 79 5.344 14.766 -5.998 1.00 13.41 H new ATOM 0 HG3 ARG A 79 3.736 15.235 -6.514 1.00 13.41 H new ATOM 0 HD2 ARG A 79 2.802 14.348 -4.350 1.00 10.04 H new ATOM 0 HD3 ARG A 79 4.424 13.931 -3.835 1.00 10.04 H new ATOM 0 HE ARG A 79 3.313 16.682 -4.149 1.00 13.55 H new ATOM 0 HH11 ARG A 79 6.062 14.675 -3.239 1.00 72.25 H new ATOM 0 HH12 ARG A 79 6.846 15.999 -2.371 1.00 72.25 H new ATOM 0 HH21 ARG A 79 4.341 18.291 -3.074 1.00 22.10 H new ATOM 0 HH22 ARG A 79 5.893 17.999 -2.281 1.00 22.10 H new ATOM 1299 N ASP A 80 3.225 10.885 -8.454 1.00 31.03 N ATOM 1300 CA ASP A 80 2.891 9.508 -8.903 1.00 11.22 C ATOM 1301 C ASP A 80 3.701 8.388 -8.207 1.00 1.33 C ATOM 1302 O ASP A 80 4.316 7.526 -8.856 1.00 22.44 O ATOM 1303 CB ASP A 80 2.946 9.427 -10.449 1.00 65.12 C ATOM 1304 CG ASP A 80 1.822 10.252 -11.100 1.00 70.23 C ATOM 1305 OD1 ASP A 80 1.809 11.501 -10.943 1.00 71.22 O ATOM 1306 OD2 ASP A 80 0.922 9.660 -11.734 1.00 74.52 O ATOM 0 H ASP A 80 2.397 11.415 -8.183 1.00 31.03 H new ATOM 0 HA ASP A 80 1.868 9.312 -8.582 1.00 11.22 H new ATOM 0 HB2 ASP A 80 3.913 9.789 -10.799 1.00 65.12 H new ATOM 0 HB3 ASP A 80 2.863 8.386 -10.763 1.00 65.12 H new ATOM 1311 N TYR A 81 3.670 8.406 -6.870 1.00 32.32 N ATOM 1312 CA TYR A 81 4.264 7.347 -6.030 1.00 60.13 C ATOM 1313 C TYR A 81 3.223 6.847 -5.005 1.00 20.14 C ATOM 1314 O TYR A 81 2.227 7.529 -4.727 1.00 33.50 O ATOM 1315 CB TYR A 81 5.545 7.860 -5.298 1.00 42.32 C ATOM 1316 CG TYR A 81 5.287 8.826 -4.116 1.00 0.32 C ATOM 1317 CD1 TYR A 81 4.871 10.143 -4.331 1.00 0.23 C ATOM 1318 CD2 TYR A 81 5.446 8.408 -2.784 1.00 20.43 C ATOM 1319 CE1 TYR A 81 4.629 11.002 -3.272 1.00 11.02 C ATOM 1320 CE2 TYR A 81 5.203 9.266 -1.725 1.00 44.11 C ATOM 1321 CZ TYR A 81 4.796 10.562 -1.975 1.00 43.44 C ATOM 1322 OH TYR A 81 4.551 11.422 -0.921 1.00 63.21 O ATOM 0 H TYR A 81 3.232 9.155 -6.334 1.00 32.32 H new ATOM 0 HA TYR A 81 4.558 6.520 -6.676 1.00 60.13 H new ATOM 0 HB2 TYR A 81 6.102 6.999 -4.928 1.00 42.32 H new ATOM 0 HB3 TYR A 81 6.182 8.363 -6.025 1.00 42.32 H new ATOM 0 HD1 TYR A 81 4.736 10.497 -5.342 1.00 0.23 H new ATOM 0 HD2 TYR A 81 5.765 7.396 -2.582 1.00 20.43 H new ATOM 0 HE1 TYR A 81 4.310 12.016 -3.461 1.00 11.02 H new ATOM 0 HE2 TYR A 81 5.331 8.924 -0.709 1.00 44.11 H new ATOM 0 HH TYR A 81 4.714 10.957 -0.074 1.00 63.21 H new ATOM 1332 N PHE A 82 3.474 5.660 -4.445 1.00 73.21 N ATOM 1333 CA PHE A 82 2.661 5.090 -3.352 1.00 12.11 C ATOM 1334 C PHE A 82 3.556 4.193 -2.466 1.00 50.23 C ATOM 1335 O PHE A 82 4.073 3.170 -2.926 1.00 25.41 O ATOM 1336 CB PHE A 82 1.405 4.331 -3.909 1.00 70.44 C ATOM 1337 CG PHE A 82 1.677 3.267 -4.988 1.00 40.03 C ATOM 1338 CD1 PHE A 82 1.939 3.634 -6.315 1.00 22.23 C ATOM 1339 CD2 PHE A 82 1.663 1.903 -4.683 1.00 41.42 C ATOM 1340 CE1 PHE A 82 2.175 2.677 -7.288 1.00 54.15 C ATOM 1341 CE2 PHE A 82 1.901 0.948 -5.659 1.00 14.42 C ATOM 1342 CZ PHE A 82 2.155 1.336 -6.958 1.00 54.12 C ATOM 0 H PHE A 82 4.248 5.061 -4.733 1.00 73.21 H new ATOM 0 HA PHE A 82 2.269 5.896 -2.731 1.00 12.11 H new ATOM 0 HB2 PHE A 82 0.897 3.849 -3.073 1.00 70.44 H new ATOM 0 HB3 PHE A 82 0.714 5.067 -4.320 1.00 70.44 H new ATOM 0 HD1 PHE A 82 1.957 4.680 -6.583 1.00 22.23 H new ATOM 0 HD2 PHE A 82 1.463 1.588 -3.670 1.00 41.42 H new ATOM 0 HE1 PHE A 82 2.375 2.980 -8.305 1.00 54.15 H new ATOM 0 HE2 PHE A 82 1.888 -0.101 -5.402 1.00 14.42 H new ATOM 0 HZ PHE A 82 2.338 0.591 -7.718 1.00 54.12 H new ATOM 1352 N GLU A 83 3.789 4.622 -1.205 1.00 72.50 N ATOM 1353 CA GLU A 83 4.656 3.888 -0.255 1.00 44.11 C ATOM 1354 C GLU A 83 3.830 3.175 0.834 1.00 71.21 C ATOM 1355 O GLU A 83 2.944 3.761 1.454 1.00 52.44 O ATOM 1356 CB GLU A 83 5.746 4.815 0.363 1.00 54.41 C ATOM 1357 CG GLU A 83 5.241 6.091 1.043 1.00 60.01 C ATOM 1358 CD GLU A 83 6.369 6.947 1.657 1.00 3.53 C ATOM 1359 OE1 GLU A 83 6.815 6.641 2.789 1.00 51.33 O ATOM 1360 OE2 GLU A 83 6.809 7.925 1.016 1.00 75.33 O ATOM 0 H GLU A 83 3.387 5.477 -0.820 1.00 72.50 H new ATOM 0 HA GLU A 83 5.175 3.116 -0.823 1.00 44.11 H new ATOM 0 HB2 GLU A 83 6.312 4.238 1.094 1.00 54.41 H new ATOM 0 HB3 GLU A 83 6.442 5.100 -0.426 1.00 54.41 H new ATOM 0 HG2 GLU A 83 4.696 6.691 0.314 1.00 60.01 H new ATOM 0 HG3 GLU A 83 4.533 5.820 1.826 1.00 60.01 H new ATOM 1367 N ILE A 84 4.147 1.887 1.051 1.00 34.12 N ATOM 1368 CA ILE A 84 3.419 0.994 1.970 1.00 41.14 C ATOM 1369 C ILE A 84 4.423 0.303 2.917 1.00 4.43 C ATOM 1370 O ILE A 84 5.487 -0.139 2.473 1.00 55.10 O ATOM 1371 CB ILE A 84 2.607 -0.136 1.208 1.00 22.14 C ATOM 1372 CG1 ILE A 84 1.655 0.440 0.091 1.00 23.21 C ATOM 1373 CG2 ILE A 84 1.816 -0.996 2.219 1.00 65.13 C ATOM 1374 CD1 ILE A 84 2.296 0.618 -1.276 1.00 52.40 C ATOM 0 H ILE A 84 4.930 1.429 0.585 1.00 34.12 H new ATOM 0 HA ILE A 84 2.711 1.614 2.519 1.00 41.14 H new ATOM 0 HB ILE A 84 3.335 -0.764 0.694 1.00 22.14 H new ATOM 0 HG12 ILE A 84 0.797 -0.225 -0.011 1.00 23.21 H new ATOM 0 HG13 ILE A 84 1.273 1.405 0.424 1.00 23.21 H new ATOM 0 HG21 ILE A 84 1.262 -1.768 1.685 1.00 65.13 H new ATOM 0 HG22 ILE A 84 2.508 -1.464 2.919 1.00 65.13 H new ATOM 0 HG23 ILE A 84 1.118 -0.363 2.768 1.00 65.13 H new ATOM 0 HD11 ILE A 84 1.560 1.019 -1.973 1.00 52.40 H new ATOM 0 HD12 ILE A 84 3.135 1.309 -1.197 1.00 52.40 H new ATOM 0 HD13 ILE A 84 2.652 -0.346 -1.639 1.00 52.40 H new ATOM 1386 N LYS A 85 4.095 0.233 4.213 1.00 12.31 N ATOM 1387 CA LYS A 85 4.839 -0.594 5.188 1.00 72.15 C ATOM 1388 C LYS A 85 3.889 -1.228 6.220 1.00 45.32 C ATOM 1389 O LYS A 85 2.713 -0.861 6.312 1.00 41.24 O ATOM 1390 CB LYS A 85 5.929 0.238 5.908 1.00 12.14 C ATOM 1391 CG LYS A 85 5.432 1.462 6.705 1.00 41.14 C ATOM 1392 CD LYS A 85 6.572 2.125 7.512 1.00 14.12 C ATOM 1393 CE LYS A 85 6.115 3.378 8.273 1.00 32.13 C ATOM 1394 NZ LYS A 85 5.678 4.458 7.351 1.00 65.22 N ATOM 0 H LYS A 85 3.311 0.743 4.620 1.00 12.31 H new ATOM 0 HA LYS A 85 5.326 -1.394 4.631 1.00 72.15 H new ATOM 0 HB2 LYS A 85 6.468 -0.420 6.590 1.00 12.14 H new ATOM 0 HB3 LYS A 85 6.646 0.582 5.163 1.00 12.14 H new ATOM 0 HG2 LYS A 85 5.001 2.191 6.019 1.00 41.14 H new ATOM 0 HG3 LYS A 85 4.637 1.155 7.385 1.00 41.14 H new ATOM 0 HD2 LYS A 85 6.976 1.403 8.221 1.00 14.12 H new ATOM 0 HD3 LYS A 85 7.382 2.393 6.834 1.00 14.12 H new ATOM 0 HE2 LYS A 85 5.295 3.117 8.942 1.00 32.13 H new ATOM 0 HE3 LYS A 85 6.931 3.742 8.897 1.00 32.13 H new ATOM 0 HZ1 LYS A 85 5.346 5.273 7.904 1.00 65.22 H new ATOM 0 HZ2 LYS A 85 6.478 4.748 6.753 1.00 65.22 H new ATOM 0 HZ3 LYS A 85 4.904 4.109 6.750 1.00 65.22 H new ATOM 1408 N MET A 86 4.426 -2.179 7.002 1.00 32.05 N ATOM 1409 CA MET A 86 3.744 -2.749 8.176 1.00 64.13 C ATOM 1410 C MET A 86 4.753 -2.899 9.332 1.00 63.50 C ATOM 1411 O MET A 86 5.848 -3.450 9.165 1.00 52.21 O ATOM 1412 CB MET A 86 3.038 -4.105 7.887 1.00 60.13 C ATOM 1413 CG MET A 86 3.895 -5.179 7.202 1.00 3.51 C ATOM 1414 SD MET A 86 4.174 -4.853 5.449 1.00 72.24 S ATOM 1415 CE MET A 86 2.512 -5.005 4.814 1.00 11.31 C ATOM 0 H MET A 86 5.351 -2.576 6.837 1.00 32.05 H new ATOM 0 HA MET A 86 2.951 -2.054 8.454 1.00 64.13 H new ATOM 0 HB2 MET A 86 2.671 -4.509 8.831 1.00 60.13 H new ATOM 0 HB3 MET A 86 2.166 -3.912 7.262 1.00 60.13 H new ATOM 0 HG2 MET A 86 4.857 -5.246 7.710 1.00 3.51 H new ATOM 0 HG3 MET A 86 3.408 -6.148 7.312 1.00 3.51 H new ATOM 0 HE1 MET A 86 2.522 -5.615 3.911 1.00 11.31 H new ATOM 0 HE2 MET A 86 1.878 -5.478 5.564 1.00 11.31 H new ATOM 0 HE3 MET A 86 2.120 -4.015 4.579 1.00 11.31 H new ATOM 1425 N SER A 87 4.362 -2.383 10.494 1.00 21.34 N ATOM 1426 CA SER A 87 5.148 -2.467 11.746 1.00 23.41 C ATOM 1427 C SER A 87 4.527 -3.528 12.668 1.00 43.22 C ATOM 1428 O SER A 87 3.310 -3.675 12.697 1.00 4.35 O ATOM 1429 CB SER A 87 5.170 -1.089 12.460 1.00 64.20 C ATOM 1430 OG SER A 87 5.907 -1.131 13.678 1.00 63.20 O ATOM 0 H SER A 87 3.479 -1.885 10.606 1.00 21.34 H new ATOM 0 HA SER A 87 6.173 -2.750 11.507 1.00 23.41 H new ATOM 0 HB2 SER A 87 5.609 -0.344 11.796 1.00 64.20 H new ATOM 0 HB3 SER A 87 4.148 -0.771 12.665 1.00 64.20 H new ATOM 0 HG SER A 87 5.899 -0.245 14.096 1.00 63.20 H new ATOM 1436 N TYR A 88 5.352 -4.261 13.430 1.00 1.03 N ATOM 1437 CA TYR A 88 4.857 -5.352 14.306 1.00 14.44 C ATOM 1438 C TYR A 88 5.125 -5.032 15.798 1.00 43.04 C ATOM 1439 O TYR A 88 6.268 -4.803 16.200 1.00 22.02 O ATOM 1440 CB TYR A 88 5.508 -6.704 13.888 1.00 40.42 C ATOM 1441 CG TYR A 88 4.956 -7.942 14.621 1.00 50.03 C ATOM 1442 CD1 TYR A 88 3.589 -8.068 14.896 1.00 4.35 C ATOM 1443 CD2 TYR A 88 5.794 -8.978 15.041 1.00 3.34 C ATOM 1444 CE1 TYR A 88 3.090 -9.168 15.558 1.00 43.02 C ATOM 1445 CE2 TYR A 88 5.290 -10.088 15.702 1.00 53.43 C ATOM 1446 CZ TYR A 88 3.938 -10.175 15.964 1.00 34.04 C ATOM 1447 OH TYR A 88 3.435 -11.268 16.636 1.00 33.32 O ATOM 0 H TYR A 88 6.362 -4.125 13.463 1.00 1.03 H new ATOM 0 HA TYR A 88 3.777 -5.438 14.184 1.00 14.44 H new ATOM 0 HB2 TYR A 88 5.368 -6.842 12.816 1.00 40.42 H new ATOM 0 HB3 TYR A 88 6.582 -6.644 14.064 1.00 40.42 H new ATOM 0 HD1 TYR A 88 2.912 -7.287 14.583 1.00 4.35 H new ATOM 0 HD2 TYR A 88 6.854 -8.913 14.847 1.00 3.34 H new ATOM 0 HE1 TYR A 88 2.031 -9.241 15.759 1.00 43.02 H new ATOM 0 HE2 TYR A 88 5.954 -10.882 16.011 1.00 53.43 H new ATOM 0 HH TYR A 88 4.166 -11.885 16.849 1.00 33.32 H new ATOM 1457 N ASN A 89 4.047 -5.040 16.617 1.00 43.24 N ATOM 1458 CA ASN A 89 4.121 -4.722 18.067 1.00 70.20 C ATOM 1459 C ASN A 89 4.610 -5.920 18.931 1.00 74.24 C ATOM 1460 O ASN A 89 4.766 -5.773 20.151 1.00 64.34 O ATOM 1461 CB ASN A 89 2.743 -4.247 18.580 1.00 2.22 C ATOM 1462 CG ASN A 89 2.208 -3.010 17.863 1.00 11.51 C ATOM 1463 OD1 ASN A 89 2.508 -1.883 18.234 1.00 23.51 O ATOM 1464 ND2 ASN A 89 1.373 -3.205 16.868 1.00 31.24 N ATOM 0 H ASN A 89 3.106 -5.265 16.296 1.00 43.24 H new ATOM 0 HA ASN A 89 4.859 -3.926 18.171 1.00 70.20 H new ATOM 0 HB2 ASN A 89 2.025 -5.059 18.467 1.00 2.22 H new ATOM 0 HB3 ASN A 89 2.817 -4.033 19.646 1.00 2.22 H new ATOM 0 HD21 ASN A 89 0.959 -2.407 16.386 1.00 31.24 H new ATOM 0 HD22 ASN A 89 1.139 -4.154 16.577 1.00 31.24 H new ATOM 1471 N GLU A 90 4.807 -7.096 18.291 1.00 14.22 N ATOM 1472 CA GLU A 90 5.382 -8.321 18.923 1.00 51.54 C ATOM 1473 C GLU A 90 4.476 -8.911 20.045 1.00 73.10 C ATOM 1474 O GLU A 90 3.745 -9.879 19.807 1.00 71.44 O ATOM 1475 CB GLU A 90 6.824 -8.055 19.445 1.00 24.05 C ATOM 1476 CG GLU A 90 7.831 -7.576 18.376 1.00 43.13 C ATOM 1477 CD GLU A 90 9.160 -7.091 18.983 1.00 60.02 C ATOM 1478 OE1 GLU A 90 9.268 -5.888 19.323 1.00 73.05 O ATOM 1479 OE2 GLU A 90 10.086 -7.908 19.154 1.00 62.40 O ATOM 0 H GLU A 90 4.570 -7.229 17.308 1.00 14.22 H new ATOM 0 HA GLU A 90 5.431 -9.079 18.141 1.00 51.54 H new ATOM 0 HB2 GLU A 90 6.775 -7.307 20.236 1.00 24.05 H new ATOM 0 HB3 GLU A 90 7.205 -8.971 19.896 1.00 24.05 H new ATOM 0 HG2 GLU A 90 8.031 -8.391 17.680 1.00 43.13 H new ATOM 0 HG3 GLU A 90 7.384 -6.767 17.799 1.00 43.13 H new ATOM 1486 N LEU A 91 4.513 -8.291 21.248 1.00 2.31 N ATOM 1487 CA LEU A 91 3.756 -8.753 22.441 1.00 42.43 C ATOM 1488 C LEU A 91 2.253 -8.441 22.299 1.00 10.02 C ATOM 1489 O LEU A 91 1.396 -9.211 22.748 1.00 13.13 O ATOM 1490 CB LEU A 91 4.313 -8.071 23.726 1.00 54.52 C ATOM 1491 CG LEU A 91 5.833 -8.289 24.021 1.00 12.35 C ATOM 1492 CD1 LEU A 91 6.264 -7.549 25.308 1.00 22.14 C ATOM 1493 CD2 LEU A 91 6.184 -9.793 24.089 1.00 23.13 C ATOM 0 H LEU A 91 5.069 -7.454 21.421 1.00 2.31 H new ATOM 0 HA LEU A 91 3.879 -9.833 22.520 1.00 42.43 H new ATOM 0 HB2 LEU A 91 4.129 -6.999 23.652 1.00 54.52 H new ATOM 0 HB3 LEU A 91 3.743 -8.434 24.581 1.00 54.52 H new ATOM 0 HG LEU A 91 6.395 -7.861 23.191 1.00 12.35 H new ATOM 0 HD11 LEU A 91 7.326 -7.719 25.487 1.00 22.14 H new ATOM 0 HD12 LEU A 91 6.082 -6.481 25.192 1.00 22.14 H new ATOM 0 HD13 LEU A 91 5.688 -7.925 26.154 1.00 22.14 H new ATOM 0 HD21 LEU A 91 7.248 -9.909 24.295 1.00 23.13 H new ATOM 0 HD22 LEU A 91 5.606 -10.266 24.883 1.00 23.13 H new ATOM 0 HD23 LEU A 91 5.946 -10.266 23.136 1.00 23.13 H new ATOM 1505 N THR A 92 1.955 -7.292 21.667 1.00 24.31 N ATOM 1506 CA THR A 92 0.572 -6.841 21.422 1.00 25.44 C ATOM 1507 C THR A 92 -0.040 -7.618 20.223 1.00 23.32 C ATOM 1508 O THR A 92 -1.255 -7.795 20.132 1.00 5.33 O ATOM 1509 CB THR A 92 0.546 -5.298 21.166 1.00 21.12 C ATOM 1510 OG1 THR A 92 1.332 -4.635 22.173 1.00 35.53 O ATOM 1511 CG2 THR A 92 -0.872 -4.704 21.173 1.00 5.43 C ATOM 0 H THR A 92 2.664 -6.650 21.312 1.00 24.31 H new ATOM 0 HA THR A 92 -0.033 -7.048 22.305 1.00 25.44 H new ATOM 0 HB THR A 92 0.959 -5.138 20.170 1.00 21.12 H new ATOM 0 HG1 THR A 92 1.319 -3.668 22.014 1.00 35.53 H new ATOM 0 HG21 THR A 92 -0.818 -3.631 20.990 1.00 5.43 H new ATOM 0 HG22 THR A 92 -1.468 -5.176 20.392 1.00 5.43 H new ATOM 0 HG23 THR A 92 -1.337 -4.883 22.142 1.00 5.43 H new ATOM 1519 N GLY A 93 0.838 -8.070 19.297 1.00 42.51 N ATOM 1520 CA GLY A 93 0.473 -9.060 18.265 1.00 4.35 C ATOM 1521 C GLY A 93 -0.118 -8.497 16.963 1.00 63.12 C ATOM 1522 O GLY A 93 -0.223 -9.235 15.974 1.00 2.34 O ATOM 0 H GLY A 93 1.809 -7.761 19.247 1.00 42.51 H new ATOM 0 HA2 GLY A 93 1.363 -9.638 18.015 1.00 4.35 H new ATOM 0 HA3 GLY A 93 -0.248 -9.754 18.696 1.00 4.35 H new ATOM 1526 N ASP A 94 -0.522 -7.216 16.946 1.00 34.34 N ATOM 1527 CA ASP A 94 -1.115 -6.590 15.736 1.00 75.55 C ATOM 1528 C ASP A 94 -0.035 -5.945 14.834 1.00 61.43 C ATOM 1529 O ASP A 94 1.112 -5.717 15.259 1.00 65.34 O ATOM 1530 CB ASP A 94 -2.189 -5.539 16.136 1.00 40.34 C ATOM 1531 CG ASP A 94 -1.597 -4.319 16.852 1.00 12.31 C ATOM 1532 OD1 ASP A 94 -1.077 -4.483 17.974 1.00 73.55 O ATOM 1533 OD2 ASP A 94 -1.614 -3.201 16.287 1.00 11.34 O ATOM 0 H ASP A 94 -0.452 -6.590 17.748 1.00 34.34 H new ATOM 0 HA ASP A 94 -1.594 -7.381 15.160 1.00 75.55 H new ATOM 0 HB2 ASP A 94 -2.716 -5.208 15.241 1.00 40.34 H new ATOM 0 HB3 ASP A 94 -2.927 -6.011 16.784 1.00 40.34 H new ATOM 1538 N TYR A 95 -0.424 -5.677 13.580 1.00 61.43 N ATOM 1539 CA TYR A 95 0.397 -4.932 12.611 1.00 32.33 C ATOM 1540 C TYR A 95 -0.140 -3.488 12.454 1.00 53.44 C ATOM 1541 O TYR A 95 -1.323 -3.293 12.183 1.00 75.52 O ATOM 1542 CB TYR A 95 0.375 -5.651 11.223 1.00 42.02 C ATOM 1543 CG TYR A 95 1.294 -6.883 11.100 1.00 34.22 C ATOM 1544 CD1 TYR A 95 1.054 -8.060 11.817 1.00 2.42 C ATOM 1545 CD2 TYR A 95 2.404 -6.864 10.248 1.00 64.01 C ATOM 1546 CE1 TYR A 95 1.890 -9.161 11.685 1.00 10.53 C ATOM 1547 CE2 TYR A 95 3.235 -7.953 10.112 1.00 22.31 C ATOM 1548 CZ TYR A 95 2.979 -9.102 10.829 1.00 15.13 C ATOM 1549 OH TYR A 95 3.818 -10.193 10.695 1.00 23.52 O ATOM 0 H TYR A 95 -1.325 -5.973 13.205 1.00 61.43 H new ATOM 0 HA TYR A 95 1.422 -4.895 12.980 1.00 32.33 H new ATOM 0 HB2 TYR A 95 -0.648 -5.960 11.009 1.00 42.02 H new ATOM 0 HB3 TYR A 95 0.657 -4.930 10.455 1.00 42.02 H new ATOM 0 HD1 TYR A 95 0.206 -8.113 12.483 1.00 2.42 H new ATOM 0 HD2 TYR A 95 2.615 -5.969 9.681 1.00 64.01 H new ATOM 0 HE1 TYR A 95 1.692 -10.061 12.248 1.00 10.53 H new ATOM 0 HE2 TYR A 95 4.084 -7.907 9.446 1.00 22.31 H new ATOM 0 HH TYR A 95 4.529 -9.982 10.055 1.00 23.52 H new ATOM 1559 N VAL A 96 0.752 -2.487 12.601 1.00 70.54 N ATOM 1560 CA VAL A 96 0.463 -1.093 12.208 1.00 20.23 C ATOM 1561 C VAL A 96 0.734 -0.950 10.696 1.00 5.20 C ATOM 1562 O VAL A 96 1.876 -0.791 10.267 1.00 14.43 O ATOM 1563 CB VAL A 96 1.334 -0.053 13.019 1.00 53.32 C ATOM 1564 CG1 VAL A 96 0.953 1.414 12.647 1.00 11.41 C ATOM 1565 CG2 VAL A 96 1.217 -0.303 14.547 1.00 64.03 C ATOM 0 H VAL A 96 1.685 -2.620 12.992 1.00 70.54 H new ATOM 0 HA VAL A 96 -0.580 -0.875 12.435 1.00 20.23 H new ATOM 0 HB VAL A 96 2.378 -0.198 12.740 1.00 53.32 H new ATOM 0 HG11 VAL A 96 1.569 2.107 13.221 1.00 11.41 H new ATOM 0 HG12 VAL A 96 1.122 1.575 11.582 1.00 11.41 H new ATOM 0 HG13 VAL A 96 -0.098 1.587 12.878 1.00 11.41 H new ATOM 0 HG21 VAL A 96 1.826 0.426 15.083 1.00 64.03 H new ATOM 0 HG22 VAL A 96 0.176 -0.202 14.854 1.00 64.03 H new ATOM 0 HG23 VAL A 96 1.567 -1.309 14.779 1.00 64.03 H new ATOM 1575 N LEU A 97 -0.330 -1.031 9.902 1.00 74.41 N ATOM 1576 CA LEU A 97 -0.235 -1.045 8.434 1.00 2.31 C ATOM 1577 C LEU A 97 -0.425 0.384 7.889 1.00 52.44 C ATOM 1578 O LEU A 97 -1.537 0.897 7.867 1.00 74.24 O ATOM 1579 CB LEU A 97 -1.317 -2.011 7.879 1.00 61.22 C ATOM 1580 CG LEU A 97 -1.379 -2.167 6.337 1.00 63.24 C ATOM 1581 CD1 LEU A 97 -0.028 -2.649 5.782 1.00 12.21 C ATOM 1582 CD2 LEU A 97 -2.538 -3.106 5.926 1.00 51.41 C ATOM 0 H LEU A 97 -1.286 -1.089 10.253 1.00 74.41 H new ATOM 0 HA LEU A 97 0.747 -1.394 8.115 1.00 2.31 H new ATOM 0 HB2 LEU A 97 -1.151 -2.996 8.315 1.00 61.22 H new ATOM 0 HB3 LEU A 97 -2.291 -1.668 8.227 1.00 61.22 H new ATOM 0 HG LEU A 97 -1.581 -1.190 5.899 1.00 63.24 H new ATOM 0 HD11 LEU A 97 -0.095 -2.751 4.699 1.00 12.21 H new ATOM 0 HD12 LEU A 97 0.747 -1.924 6.031 1.00 12.21 H new ATOM 0 HD13 LEU A 97 0.223 -3.614 6.223 1.00 12.21 H new ATOM 0 HD21 LEU A 97 -2.562 -3.200 4.840 1.00 51.41 H new ATOM 0 HD22 LEU A 97 -2.386 -4.089 6.372 1.00 51.41 H new ATOM 0 HD23 LEU A 97 -3.484 -2.691 6.275 1.00 51.41 H new ATOM 1594 N GLU A 98 0.670 0.997 7.413 1.00 65.55 N ATOM 1595 CA GLU A 98 0.679 2.433 7.062 1.00 64.45 C ATOM 1596 C GLU A 98 0.950 2.631 5.554 1.00 5.05 C ATOM 1597 O GLU A 98 2.070 2.409 5.075 1.00 64.54 O ATOM 1598 CB GLU A 98 1.742 3.207 7.896 1.00 72.03 C ATOM 1599 CG GLU A 98 1.533 4.738 7.894 1.00 43.20 C ATOM 1600 CD GLU A 98 2.761 5.541 8.352 1.00 2.54 C ATOM 1601 OE1 GLU A 98 3.068 5.545 9.562 1.00 24.45 O ATOM 1602 OE2 GLU A 98 3.437 6.158 7.494 1.00 14.42 O ATOM 0 H GLU A 98 1.561 0.525 7.261 1.00 65.55 H new ATOM 0 HA GLU A 98 -0.307 2.834 7.297 1.00 64.45 H new ATOM 0 HB2 GLU A 98 1.718 2.847 8.924 1.00 72.03 H new ATOM 0 HB3 GLU A 98 2.734 2.983 7.503 1.00 72.03 H new ATOM 0 HG2 GLU A 98 1.260 5.055 6.887 1.00 43.20 H new ATOM 0 HG3 GLU A 98 0.692 4.980 8.544 1.00 43.20 H new ATOM 1609 N ILE A 99 -0.096 3.025 4.816 1.00 33.01 N ATOM 1610 CA ILE A 99 0.006 3.408 3.397 1.00 2.51 C ATOM 1611 C ILE A 99 0.042 4.952 3.315 1.00 40.32 C ATOM 1612 O ILE A 99 -0.934 5.610 3.662 1.00 31.54 O ATOM 1613 CB ILE A 99 -1.222 2.856 2.545 1.00 44.55 C ATOM 1614 CG1 ILE A 99 -1.258 1.285 2.467 1.00 62.24 C ATOM 1615 CG2 ILE A 99 -1.217 3.449 1.106 1.00 21.23 C ATOM 1616 CD1 ILE A 99 -1.521 0.545 3.763 1.00 45.15 C ATOM 0 H ILE A 99 -1.044 3.088 5.187 1.00 33.01 H new ATOM 0 HA ILE A 99 0.914 2.972 2.980 1.00 2.51 H new ATOM 0 HB ILE A 99 -2.120 3.180 3.071 1.00 44.55 H new ATOM 0 HG12 ILE A 99 -2.026 0.998 1.749 1.00 62.24 H new ATOM 0 HG13 ILE A 99 -0.304 0.942 2.067 1.00 62.24 H new ATOM 0 HG21 ILE A 99 -2.066 3.055 0.547 1.00 21.23 H new ATOM 0 HG22 ILE A 99 -1.291 4.535 1.160 1.00 21.23 H new ATOM 0 HG23 ILE A 99 -0.291 3.173 0.602 1.00 21.23 H new ATOM 0 HD11 ILE A 99 -1.521 -0.529 3.575 1.00 45.15 H new ATOM 0 HD12 ILE A 99 -0.741 0.787 4.485 1.00 45.15 H new ATOM 0 HD13 ILE A 99 -2.490 0.843 4.162 1.00 45.15 H new ATOM 1628 N THR A 100 1.163 5.531 2.870 1.00 53.22 N ATOM 1629 CA THR A 100 1.257 6.985 2.624 1.00 31.13 C ATOM 1630 C THR A 100 0.912 7.284 1.144 1.00 41.11 C ATOM 1631 O THR A 100 1.682 6.976 0.221 1.00 45.45 O ATOM 1632 CB THR A 100 2.660 7.554 3.016 1.00 24.53 C ATOM 1633 OG1 THR A 100 2.853 7.462 4.445 1.00 4.13 O ATOM 1634 CG2 THR A 100 2.865 9.013 2.566 1.00 72.42 C ATOM 0 H THR A 100 2.022 5.019 2.671 1.00 53.22 H new ATOM 0 HA THR A 100 0.533 7.491 3.262 1.00 31.13 H new ATOM 0 HB THR A 100 3.398 6.946 2.494 1.00 24.53 H new ATOM 0 HG1 THR A 100 3.735 7.819 4.680 1.00 4.13 H new ATOM 0 HG21 THR A 100 3.857 9.351 2.867 1.00 72.42 H new ATOM 0 HG22 THR A 100 2.774 9.076 1.482 1.00 72.42 H new ATOM 0 HG23 THR A 100 2.110 9.647 3.031 1.00 72.42 H new ATOM 1642 N ASP A 101 -0.286 7.847 0.962 1.00 15.32 N ATOM 1643 CA ASP A 101 -0.871 8.232 -0.335 1.00 60.54 C ATOM 1644 C ASP A 101 -0.835 9.780 -0.489 1.00 2.11 C ATOM 1645 O ASP A 101 -0.520 10.495 0.462 1.00 55.14 O ATOM 1646 CB ASP A 101 -2.331 7.686 -0.364 1.00 44.01 C ATOM 1647 CG ASP A 101 -3.107 8.037 -1.642 1.00 44.11 C ATOM 1648 OD1 ASP A 101 -2.753 7.510 -2.714 1.00 11.14 O ATOM 1649 OD2 ASP A 101 -4.064 8.843 -1.584 1.00 43.25 O ATOM 0 H ASP A 101 -0.905 8.058 1.745 1.00 15.32 H new ATOM 0 HA ASP A 101 -0.307 7.813 -1.168 1.00 60.54 H new ATOM 0 HB2 ASP A 101 -2.304 6.602 -0.254 1.00 44.01 H new ATOM 0 HB3 ASP A 101 -2.872 8.080 0.496 1.00 44.01 H new ATOM 1654 N PHE A 102 -1.113 10.289 -1.704 1.00 64.31 N ATOM 1655 CA PHE A 102 -1.336 11.736 -1.935 1.00 34.11 C ATOM 1656 C PHE A 102 -2.625 11.952 -2.773 1.00 22.24 C ATOM 1657 O PHE A 102 -2.806 11.347 -3.837 1.00 73.43 O ATOM 1658 CB PHE A 102 -0.084 12.404 -2.597 1.00 30.22 C ATOM 1659 CG PHE A 102 0.159 12.058 -4.075 1.00 20.34 C ATOM 1660 CD1 PHE A 102 0.695 10.825 -4.454 1.00 72.25 C ATOM 1661 CD2 PHE A 102 -0.172 12.966 -5.092 1.00 1.33 C ATOM 1662 CE1 PHE A 102 0.887 10.515 -5.790 1.00 13.12 C ATOM 1663 CE2 PHE A 102 0.026 12.652 -6.425 1.00 70.40 C ATOM 1664 CZ PHE A 102 0.550 11.428 -6.770 1.00 24.02 C ATOM 0 H PHE A 102 -1.190 9.720 -2.547 1.00 64.31 H new ATOM 0 HA PHE A 102 -1.479 12.226 -0.972 1.00 34.11 H new ATOM 0 HB2 PHE A 102 -0.184 13.486 -2.509 1.00 30.22 H new ATOM 0 HB3 PHE A 102 0.800 12.118 -2.027 1.00 30.22 H new ATOM 0 HD1 PHE A 102 0.963 10.104 -3.696 1.00 72.25 H new ATOM 0 HD2 PHE A 102 -0.589 13.927 -4.830 1.00 1.33 H new ATOM 0 HE1 PHE A 102 1.301 9.557 -6.066 1.00 13.12 H new ATOM 0 HE2 PHE A 102 -0.230 13.367 -7.193 1.00 70.40 H new ATOM 0 HZ PHE A 102 0.698 11.180 -7.811 1.00 24.02 H new ATOM 1674 N SER A 103 -3.524 12.799 -2.261 1.00 13.13 N ATOM 1675 CA SER A 103 -4.802 13.157 -2.928 1.00 73.22 C ATOM 1676 C SER A 103 -5.101 14.642 -2.726 1.00 11.33 C ATOM 1677 O SER A 103 -4.597 15.246 -1.778 1.00 45.10 O ATOM 1678 CB SER A 103 -5.973 12.314 -2.358 1.00 73.32 C ATOM 1679 OG SER A 103 -5.831 10.942 -2.679 1.00 51.23 O ATOM 0 H SER A 103 -3.393 13.265 -1.363 1.00 13.13 H new ATOM 0 HA SER A 103 -4.701 12.947 -3.993 1.00 73.22 H new ATOM 0 HB2 SER A 103 -6.014 12.433 -1.275 1.00 73.32 H new ATOM 0 HB3 SER A 103 -6.917 12.686 -2.756 1.00 73.32 H new ATOM 0 HG SER A 103 -5.151 10.539 -2.099 1.00 51.23 H new ATOM 1685 N GLU A 104 -5.911 15.230 -3.632 1.00 71.44 N ATOM 1686 CA GLU A 104 -6.464 16.591 -3.441 1.00 23.31 C ATOM 1687 C GLU A 104 -7.166 16.713 -2.061 1.00 54.22 C ATOM 1688 O GLU A 104 -7.902 15.811 -1.670 1.00 10.33 O ATOM 1689 CB GLU A 104 -7.470 16.966 -4.590 1.00 4.45 C ATOM 1690 CG GLU A 104 -6.943 17.971 -5.647 1.00 11.20 C ATOM 1691 CD GLU A 104 -5.920 17.400 -6.631 1.00 50.21 C ATOM 1692 OE1 GLU A 104 -6.124 16.268 -7.125 1.00 25.12 O ATOM 1693 OE2 GLU A 104 -4.928 18.092 -6.959 1.00 73.11 O ATOM 0 H GLU A 104 -6.197 14.785 -4.504 1.00 71.44 H new ATOM 0 HA GLU A 104 -5.629 17.291 -3.475 1.00 23.31 H new ATOM 0 HB2 GLU A 104 -7.765 16.050 -5.102 1.00 4.45 H new ATOM 0 HB3 GLU A 104 -8.370 17.382 -4.138 1.00 4.45 H new ATOM 0 HG2 GLU A 104 -7.791 18.358 -6.212 1.00 11.20 H new ATOM 0 HG3 GLU A 104 -6.492 18.817 -5.128 1.00 11.20 H new ATOM 1700 N ALA A 105 -6.902 17.810 -1.323 1.00 42.41 N ATOM 1701 CA ALA A 105 -7.623 18.128 -0.057 1.00 11.54 C ATOM 1702 C ALA A 105 -9.161 18.266 -0.280 1.00 32.23 C ATOM 1703 O ALA A 105 -9.958 18.129 0.646 1.00 71.35 O ATOM 1704 CB ALA A 105 -7.035 19.398 0.571 1.00 32.04 C ATOM 0 H ALA A 105 -6.193 18.498 -1.577 1.00 42.41 H new ATOM 0 HA ALA A 105 -7.482 17.296 0.633 1.00 11.54 H new ATOM 0 HB1 ALA A 105 -7.565 19.626 1.496 1.00 32.04 H new ATOM 0 HB2 ALA A 105 -5.978 19.241 0.788 1.00 32.04 H new ATOM 0 HB3 ALA A 105 -7.143 20.231 -0.124 1.00 32.04 H new ATOM 1710 N ASP A 106 -9.532 18.537 -1.536 1.00 20.20 N ATOM 1711 CA ASP A 106 -10.930 18.585 -2.023 1.00 4.34 C ATOM 1712 C ASP A 106 -11.633 17.194 -1.948 1.00 44.33 C ATOM 1713 O ASP A 106 -12.864 17.105 -2.004 1.00 44.45 O ATOM 1714 CB ASP A 106 -10.928 19.110 -3.478 1.00 43.34 C ATOM 1715 CG ASP A 106 -10.106 20.407 -3.643 1.00 21.20 C ATOM 1716 OD1 ASP A 106 -8.849 20.325 -3.648 1.00 64.23 O ATOM 1717 OD2 ASP A 106 -10.696 21.506 -3.760 1.00 20.43 O ATOM 0 H ASP A 106 -8.853 18.736 -2.270 1.00 20.20 H new ATOM 0 HA ASP A 106 -11.497 19.255 -1.377 1.00 4.34 H new ATOM 0 HB2 ASP A 106 -10.523 18.342 -4.136 1.00 43.34 H new ATOM 0 HB3 ASP A 106 -11.955 19.293 -3.795 1.00 43.34 H new ATOM 1722 N GLU A 107 -10.830 16.117 -1.807 1.00 51.21 N ATOM 1723 CA GLU A 107 -11.321 14.715 -1.744 1.00 63.43 C ATOM 1724 C GLU A 107 -10.550 13.874 -0.688 1.00 55.12 C ATOM 1725 O GLU A 107 -10.813 12.673 -0.530 1.00 53.15 O ATOM 1726 CB GLU A 107 -11.193 14.043 -3.140 1.00 72.42 C ATOM 1727 CG GLU A 107 -9.742 13.899 -3.650 1.00 15.34 C ATOM 1728 CD GLU A 107 -9.638 13.126 -4.971 1.00 51.12 C ATOM 1729 OE1 GLU A 107 -9.922 11.914 -4.967 1.00 54.23 O ATOM 1730 OE2 GLU A 107 -9.281 13.724 -6.016 1.00 50.21 O ATOM 0 H GLU A 107 -9.815 16.192 -1.733 1.00 51.21 H new ATOM 0 HA GLU A 107 -12.368 14.750 -1.443 1.00 63.43 H new ATOM 0 HB2 GLU A 107 -11.649 13.054 -3.097 1.00 72.42 H new ATOM 0 HB3 GLU A 107 -11.763 14.626 -3.864 1.00 72.42 H new ATOM 0 HG2 GLU A 107 -9.310 14.891 -3.782 1.00 15.34 H new ATOM 0 HG3 GLU A 107 -9.146 13.391 -2.892 1.00 15.34 H new ATOM 1737 N ALA A 108 -9.596 14.506 0.027 1.00 50.42 N ATOM 1738 CA ALA A 108 -8.766 13.822 1.052 1.00 63.41 C ATOM 1739 C ALA A 108 -9.621 13.400 2.260 1.00 4.41 C ATOM 1740 O ALA A 108 -9.384 12.360 2.857 1.00 21.33 O ATOM 1741 CB ALA A 108 -7.603 14.720 1.501 1.00 55.12 C ATOM 0 H ALA A 108 -9.377 15.496 -0.085 1.00 50.42 H new ATOM 0 HA ALA A 108 -8.349 12.922 0.600 1.00 63.41 H new ATOM 0 HB1 ALA A 108 -7.009 14.198 2.252 1.00 55.12 H new ATOM 0 HB2 ALA A 108 -6.975 14.958 0.643 1.00 55.12 H new ATOM 0 HB3 ALA A 108 -7.999 15.642 1.928 1.00 55.12 H new ATOM 1747 N ASP A 109 -10.623 14.233 2.584 1.00 31.44 N ATOM 1748 CA ASP A 109 -11.642 13.956 3.626 1.00 10.32 C ATOM 1749 C ASP A 109 -12.476 12.680 3.307 1.00 70.21 C ATOM 1750 O ASP A 109 -12.905 11.969 4.221 1.00 53.33 O ATOM 1751 CB ASP A 109 -12.572 15.188 3.769 1.00 64.21 C ATOM 1752 CG ASP A 109 -13.226 15.596 2.430 1.00 61.23 C ATOM 1753 OD1 ASP A 109 -12.548 16.242 1.595 1.00 0.24 O ATOM 1754 OD2 ASP A 109 -14.404 15.248 2.197 1.00 73.21 O ATOM 0 H ASP A 109 -10.756 15.134 2.125 1.00 31.44 H new ATOM 0 HA ASP A 109 -11.124 13.769 4.567 1.00 10.32 H new ATOM 0 HB2 ASP A 109 -13.352 14.967 4.498 1.00 64.21 H new ATOM 0 HB3 ASP A 109 -11.998 16.028 4.160 1.00 64.21 H new ATOM 1759 N ASP A 110 -12.709 12.422 2.006 1.00 1.04 N ATOM 1760 CA ASP A 110 -13.447 11.229 1.522 1.00 73.44 C ATOM 1761 C ASP A 110 -12.594 9.950 1.715 1.00 23.42 C ATOM 1762 O ASP A 110 -13.073 8.931 2.223 1.00 34.23 O ATOM 1763 CB ASP A 110 -13.830 11.434 0.034 1.00 24.51 C ATOM 1764 CG ASP A 110 -14.644 10.271 -0.557 1.00 14.13 C ATOM 1765 OD1 ASP A 110 -15.878 10.253 -0.386 1.00 64.13 O ATOM 1766 OD2 ASP A 110 -14.055 9.365 -1.186 1.00 72.40 O ATOM 0 H ASP A 110 -12.391 13.034 1.255 1.00 1.04 H new ATOM 0 HA ASP A 110 -14.361 11.103 2.103 1.00 73.44 H new ATOM 0 HB2 ASP A 110 -14.406 12.355 -0.061 1.00 24.51 H new ATOM 0 HB3 ASP A 110 -12.920 11.565 -0.552 1.00 24.51 H new ATOM 1771 N LEU A 111 -11.315 10.041 1.331 1.00 40.03 N ATOM 1772 CA LEU A 111 -10.330 8.951 1.504 1.00 25.23 C ATOM 1773 C LEU A 111 -10.079 8.693 3.029 1.00 70.22 C ATOM 1774 O LEU A 111 -9.870 7.553 3.459 1.00 41.33 O ATOM 1775 CB LEU A 111 -9.014 9.332 0.734 1.00 40.31 C ATOM 1776 CG LEU A 111 -8.109 8.172 0.171 1.00 54.05 C ATOM 1777 CD1 LEU A 111 -7.372 7.393 1.278 1.00 31.15 C ATOM 1778 CD2 LEU A 111 -8.920 7.219 -0.736 1.00 44.22 C ATOM 0 H LEU A 111 -10.926 10.874 0.889 1.00 40.03 H new ATOM 0 HA LEU A 111 -10.709 8.019 1.085 1.00 25.23 H new ATOM 0 HB2 LEU A 111 -9.294 9.971 -0.104 1.00 40.31 H new ATOM 0 HB3 LEU A 111 -8.401 9.935 1.404 1.00 40.31 H new ATOM 0 HG LEU A 111 -7.339 8.650 -0.435 1.00 54.05 H new ATOM 0 HD11 LEU A 111 -6.765 6.607 0.828 1.00 31.15 H new ATOM 0 HD12 LEU A 111 -6.729 8.074 1.835 1.00 31.15 H new ATOM 0 HD13 LEU A 111 -8.100 6.946 1.955 1.00 31.15 H new ATOM 0 HD21 LEU A 111 -8.268 6.429 -1.109 1.00 44.22 H new ATOM 0 HD22 LEU A 111 -9.735 6.776 -0.163 1.00 44.22 H new ATOM 0 HD23 LEU A 111 -9.330 7.778 -1.577 1.00 44.22 H new ATOM 1790 N LYS A 112 -10.127 9.778 3.832 1.00 14.03 N ATOM 1791 CA LYS A 112 -9.965 9.726 5.303 1.00 23.44 C ATOM 1792 C LYS A 112 -11.187 9.137 6.042 1.00 25.43 C ATOM 1793 O LYS A 112 -10.998 8.466 7.051 1.00 61.44 O ATOM 1794 CB LYS A 112 -9.624 11.135 5.870 1.00 33.13 C ATOM 1795 CG LYS A 112 -8.143 11.536 5.720 1.00 31.22 C ATOM 1796 CD LYS A 112 -7.214 10.591 6.513 1.00 12.42 C ATOM 1797 CE LYS A 112 -5.741 10.989 6.431 1.00 32.44 C ATOM 1798 NZ LYS A 112 -4.898 10.128 7.299 1.00 32.23 N ATOM 0 H LYS A 112 -10.280 10.722 3.476 1.00 14.03 H new ATOM 0 HA LYS A 112 -9.134 9.045 5.487 1.00 23.44 H new ATOM 0 HB2 LYS A 112 -10.242 11.877 5.365 1.00 33.13 H new ATOM 0 HB3 LYS A 112 -9.891 11.163 6.926 1.00 33.13 H new ATOM 0 HG2 LYS A 112 -7.866 11.519 4.666 1.00 31.22 H new ATOM 0 HG3 LYS A 112 -8.006 12.559 6.069 1.00 31.22 H new ATOM 0 HD2 LYS A 112 -7.523 10.580 7.558 1.00 12.42 H new ATOM 0 HD3 LYS A 112 -7.331 9.575 6.135 1.00 12.42 H new ATOM 0 HE2 LYS A 112 -5.399 10.913 5.399 1.00 32.44 H new ATOM 0 HE3 LYS A 112 -5.627 12.031 6.729 1.00 32.44 H new ATOM 0 HZ1 LYS A 112 -4.348 10.724 7.950 1.00 32.23 H new ATOM 0 HZ2 LYS A 112 -5.506 9.486 7.847 1.00 32.23 H new ATOM 0 HZ3 LYS A 112 -4.248 9.570 6.709 1.00 32.23 H new ATOM 1812 N GLU A 113 -12.430 9.411 5.579 1.00 20.34 N ATOM 1813 CA GLU A 113 -13.647 8.864 6.246 1.00 1.33 C ATOM 1814 C GLU A 113 -13.802 7.353 5.946 1.00 2.53 C ATOM 1815 O GLU A 113 -14.395 6.611 6.736 1.00 13.32 O ATOM 1816 CB GLU A 113 -14.935 9.690 5.890 1.00 5.42 C ATOM 1817 CG GLU A 113 -15.427 9.664 4.414 1.00 63.45 C ATOM 1818 CD GLU A 113 -16.174 8.380 3.995 1.00 43.35 C ATOM 1819 OE1 GLU A 113 -17.242 8.087 4.579 1.00 10.01 O ATOM 1820 OE2 GLU A 113 -15.709 7.662 3.079 1.00 3.24 O ATOM 0 H GLU A 113 -12.620 9.994 4.764 1.00 20.34 H new ATOM 0 HA GLU A 113 -13.518 8.968 7.323 1.00 1.33 H new ATOM 0 HB2 GLU A 113 -15.748 9.331 6.521 1.00 5.42 H new ATOM 0 HB3 GLU A 113 -14.753 10.729 6.165 1.00 5.42 H new ATOM 0 HG2 GLU A 113 -16.085 10.518 4.252 1.00 63.45 H new ATOM 0 HG3 GLU A 113 -14.566 9.795 3.758 1.00 63.45 H new ATOM 1827 N LEU A 114 -13.267 6.926 4.783 1.00 14.14 N ATOM 1828 CA LEU A 114 -13.114 5.495 4.420 1.00 54.00 C ATOM 1829 C LEU A 114 -12.172 4.782 5.421 1.00 61.33 C ATOM 1830 O LEU A 114 -12.545 3.773 6.034 1.00 53.35 O ATOM 1831 CB LEU A 114 -12.555 5.387 2.975 1.00 15.53 C ATOM 1832 CG LEU A 114 -12.252 3.945 2.446 1.00 71.13 C ATOM 1833 CD1 LEU A 114 -13.532 3.080 2.373 1.00 73.21 C ATOM 1834 CD2 LEU A 114 -11.523 3.996 1.081 1.00 52.21 C ATOM 0 H LEU A 114 -12.926 7.564 4.064 1.00 14.14 H new ATOM 0 HA LEU A 114 -14.087 5.007 4.464 1.00 54.00 H new ATOM 0 HB2 LEU A 114 -13.269 5.855 2.298 1.00 15.53 H new ATOM 0 HB3 LEU A 114 -11.635 5.970 2.921 1.00 15.53 H new ATOM 0 HG LEU A 114 -11.585 3.466 3.163 1.00 71.13 H new ATOM 0 HD11 LEU A 114 -13.279 2.087 2.001 1.00 73.21 H new ATOM 0 HD12 LEU A 114 -13.971 2.995 3.367 1.00 73.21 H new ATOM 0 HD13 LEU A 114 -14.249 3.548 1.699 1.00 73.21 H new ATOM 0 HD21 LEU A 114 -11.325 2.981 0.736 1.00 52.21 H new ATOM 0 HD22 LEU A 114 -12.150 4.510 0.353 1.00 52.21 H new ATOM 0 HD23 LEU A 114 -10.581 4.532 1.192 1.00 52.21 H new ATOM 1846 N TRP A 115 -10.964 5.354 5.577 1.00 43.20 N ATOM 1847 CA TRP A 115 -9.954 4.915 6.570 1.00 32.11 C ATOM 1848 C TRP A 115 -10.536 4.873 8.010 1.00 22.15 C ATOM 1849 O TRP A 115 -10.375 3.891 8.726 1.00 72.32 O ATOM 1850 CB TRP A 115 -8.733 5.880 6.500 1.00 62.15 C ATOM 1851 CG TRP A 115 -7.787 5.794 7.684 1.00 11.04 C ATOM 1852 CD1 TRP A 115 -6.868 4.821 7.937 1.00 21.52 C ATOM 1853 CD2 TRP A 115 -7.701 6.714 8.789 1.00 12.42 C ATOM 1854 NE1 TRP A 115 -6.215 5.086 9.109 1.00 2.20 N ATOM 1855 CE2 TRP A 115 -6.703 6.237 9.651 1.00 14.44 C ATOM 1856 CE3 TRP A 115 -8.370 7.900 9.119 1.00 72.43 C ATOM 1857 CZ2 TRP A 115 -6.361 6.892 10.831 1.00 53.22 C ATOM 1858 CZ3 TRP A 115 -8.034 8.550 10.290 1.00 73.12 C ATOM 1859 CH2 TRP A 115 -7.036 8.046 11.135 1.00 4.51 C ATOM 0 H TRP A 115 -10.654 6.144 5.012 1.00 43.20 H new ATOM 0 HA TRP A 115 -9.643 3.899 6.327 1.00 32.11 H new ATOM 0 HB2 TRP A 115 -8.173 5.670 5.589 1.00 62.15 H new ATOM 0 HB3 TRP A 115 -9.100 6.903 6.419 1.00 62.15 H new ATOM 0 HD1 TRP A 115 -6.682 3.965 7.305 1.00 21.52 H new ATOM 0 HE1 TRP A 115 -5.477 4.511 9.515 1.00 2.20 H new ATOM 0 HE3 TRP A 115 -9.135 8.299 8.469 1.00 72.43 H new ATOM 0 HZ2 TRP A 115 -5.592 6.505 11.483 1.00 53.22 H new ATOM 0 HZ3 TRP A 115 -8.548 9.461 10.559 1.00 73.12 H new ATOM 0 HH2 TRP A 115 -6.794 8.577 12.044 1.00 4.51 H new ATOM 1870 N ASP A 116 -11.199 5.967 8.399 1.00 15.11 N ATOM 1871 CA ASP A 116 -11.744 6.181 9.760 1.00 20.52 C ATOM 1872 C ASP A 116 -12.878 5.178 10.079 1.00 71.45 C ATOM 1873 O ASP A 116 -13.039 4.742 11.226 1.00 71.53 O ATOM 1874 CB ASP A 116 -12.229 7.649 9.864 1.00 10.12 C ATOM 1875 CG ASP A 116 -12.630 8.069 11.281 1.00 32.20 C ATOM 1876 OD1 ASP A 116 -11.739 8.439 12.081 1.00 22.51 O ATOM 1877 OD2 ASP A 116 -13.834 8.043 11.594 1.00 24.14 O ATOM 0 H ASP A 116 -11.380 6.749 7.770 1.00 15.11 H new ATOM 0 HA ASP A 116 -10.965 6.003 10.501 1.00 20.52 H new ATOM 0 HB2 ASP A 116 -11.437 8.309 9.510 1.00 10.12 H new ATOM 0 HB3 ASP A 116 -13.081 7.788 9.199 1.00 10.12 H new ATOM 1882 N SER A 117 -13.642 4.805 9.038 1.00 50.32 N ATOM 1883 CA SER A 117 -14.692 3.769 9.138 1.00 25.20 C ATOM 1884 C SER A 117 -14.054 2.370 9.317 1.00 23.31 C ATOM 1885 O SER A 117 -14.624 1.495 9.974 1.00 42.31 O ATOM 1886 CB SER A 117 -15.597 3.798 7.886 1.00 21.23 C ATOM 1887 OG SER A 117 -16.711 2.932 8.027 1.00 0.52 O ATOM 0 H SER A 117 -13.552 5.209 8.106 1.00 50.32 H new ATOM 0 HA SER A 117 -15.308 3.980 10.012 1.00 25.20 H new ATOM 0 HB2 SER A 117 -15.946 4.816 7.712 1.00 21.23 H new ATOM 0 HB3 SER A 117 -15.017 3.506 7.010 1.00 21.23 H new ATOM 0 HG SER A 117 -17.263 2.975 7.219 1.00 0.52 H new ATOM 1893 N GLN A 118 -12.855 2.176 8.717 1.00 64.25 N ATOM 1894 CA GLN A 118 -12.037 0.960 8.922 1.00 12.00 C ATOM 1895 C GLN A 118 -11.424 0.919 10.344 1.00 61.12 C ATOM 1896 O GLN A 118 -11.221 -0.162 10.884 1.00 24.14 O ATOM 1897 CB GLN A 118 -10.920 0.840 7.850 1.00 61.30 C ATOM 1898 CG GLN A 118 -11.415 0.717 6.390 1.00 21.23 C ATOM 1899 CD GLN A 118 -12.351 -0.476 6.162 1.00 5.31 C ATOM 1900 OE1 GLN A 118 -11.913 -1.584 5.866 1.00 24.30 O ATOM 1901 NE2 GLN A 118 -13.647 -0.255 6.293 1.00 73.33 N ATOM 0 H GLN A 118 -12.432 2.853 8.082 1.00 64.25 H new ATOM 0 HA GLN A 118 -12.706 0.106 8.816 1.00 12.00 H new ATOM 0 HB2 GLN A 118 -10.273 1.714 7.924 1.00 61.30 H new ATOM 0 HB3 GLN A 118 -10.308 -0.031 8.083 1.00 61.30 H new ATOM 0 HG2 GLN A 118 -11.934 1.634 6.112 1.00 21.23 H new ATOM 0 HG3 GLN A 118 -10.553 0.625 5.729 1.00 21.23 H new ATOM 0 HE21 GLN A 118 -13.983 0.676 6.540 1.00 73.33 H new ATOM 0 HE22 GLN A 118 -14.311 -1.015 6.147 1.00 73.33 H new ATOM 1910 N VAL A 119 -11.134 2.100 10.938 1.00 54.14 N ATOM 1911 CA VAL A 119 -10.625 2.201 12.334 1.00 72.12 C ATOM 1912 C VAL A 119 -11.735 1.812 13.351 1.00 54.25 C ATOM 1913 O VAL A 119 -11.468 1.174 14.381 1.00 12.33 O ATOM 1914 CB VAL A 119 -10.056 3.639 12.653 1.00 24.31 C ATOM 1915 CG1 VAL A 119 -9.481 3.723 14.093 1.00 55.53 C ATOM 1916 CG2 VAL A 119 -8.981 4.054 11.620 1.00 53.14 C ATOM 0 H VAL A 119 -11.243 3.002 10.474 1.00 54.14 H new ATOM 0 HA VAL A 119 -9.799 1.497 12.431 1.00 72.12 H new ATOM 0 HB VAL A 119 -10.891 4.336 12.584 1.00 24.31 H new ATOM 0 HG11 VAL A 119 -9.099 4.728 14.274 1.00 55.53 H new ATOM 0 HG12 VAL A 119 -10.268 3.499 14.813 1.00 55.53 H new ATOM 0 HG13 VAL A 119 -8.671 3.002 14.204 1.00 55.53 H new ATOM 0 HG21 VAL A 119 -8.607 5.048 11.864 1.00 53.14 H new ATOM 0 HG22 VAL A 119 -8.158 3.340 11.645 1.00 53.14 H new ATOM 0 HG23 VAL A 119 -9.420 4.066 10.623 1.00 53.14 H new ATOM 1926 N SER A 120 -12.983 2.206 13.043 1.00 44.30 N ATOM 1927 CA SER A 120 -14.183 1.754 13.791 1.00 4.45 C ATOM 1928 C SER A 120 -14.427 0.234 13.599 1.00 41.20 C ATOM 1929 O SER A 120 -14.849 -0.461 14.528 1.00 14.02 O ATOM 1930 CB SER A 120 -15.420 2.571 13.353 1.00 23.23 C ATOM 1931 OG SER A 120 -15.238 3.955 13.623 1.00 31.52 O ATOM 0 H SER A 120 -13.194 2.843 12.275 1.00 44.30 H new ATOM 0 HA SER A 120 -14.009 1.925 14.853 1.00 4.45 H new ATOM 0 HB2 SER A 120 -15.598 2.425 12.288 1.00 23.23 H new ATOM 0 HB3 SER A 120 -16.304 2.208 13.877 1.00 23.23 H new ATOM 0 HG SER A 120 -14.941 4.071 14.550 1.00 31.52 H new ATOM 1937 N LYS A 121 -14.136 -0.265 12.381 1.00 4.31 N ATOM 1938 CA LYS A 121 -14.181 -1.712 12.042 1.00 42.21 C ATOM 1939 C LYS A 121 -13.126 -2.531 12.845 1.00 73.40 C ATOM 1940 O LYS A 121 -13.389 -3.682 13.219 1.00 2.23 O ATOM 1941 CB LYS A 121 -13.969 -1.883 10.510 1.00 31.15 C ATOM 1942 CG LYS A 121 -13.810 -3.334 9.998 1.00 45.11 C ATOM 1943 CD LYS A 121 -13.509 -3.386 8.480 1.00 33.11 C ATOM 1944 CE LYS A 121 -13.301 -4.816 7.950 1.00 72.53 C ATOM 1945 NZ LYS A 121 -13.109 -4.828 6.476 1.00 71.31 N ATOM 0 H LYS A 121 -13.861 0.324 11.595 1.00 4.31 H new ATOM 0 HA LYS A 121 -15.159 -2.104 12.322 1.00 42.21 H new ATOM 0 HB2 LYS A 121 -14.816 -1.429 9.995 1.00 31.15 H new ATOM 0 HB3 LYS A 121 -13.081 -1.319 10.222 1.00 31.15 H new ATOM 0 HG2 LYS A 121 -13.004 -3.824 10.544 1.00 45.11 H new ATOM 0 HG3 LYS A 121 -14.722 -3.893 10.206 1.00 45.11 H new ATOM 0 HD2 LYS A 121 -14.332 -2.921 7.937 1.00 33.11 H new ATOM 0 HD3 LYS A 121 -12.616 -2.796 8.273 1.00 33.11 H new ATOM 0 HE2 LYS A 121 -12.433 -5.262 8.435 1.00 72.53 H new ATOM 0 HE3 LYS A 121 -14.162 -5.431 8.211 1.00 72.53 H new ATOM 0 HZ1 LYS A 121 -12.972 -5.807 6.152 1.00 71.31 H new ATOM 0 HZ2 LYS A 121 -13.948 -4.425 6.013 1.00 71.31 H new ATOM 0 HZ3 LYS A 121 -12.272 -4.261 6.230 1.00 71.31 H new ATOM 1959 N LEU A 122 -11.944 -1.918 13.122 1.00 5.42 N ATOM 1960 CA LEU A 122 -10.865 -2.561 13.925 1.00 12.12 C ATOM 1961 C LEU A 122 -11.373 -2.962 15.331 1.00 51.12 C ATOM 1962 O LEU A 122 -11.009 -4.015 15.850 1.00 4.50 O ATOM 1963 CB LEU A 122 -9.631 -1.624 14.068 1.00 14.42 C ATOM 1964 CG LEU A 122 -8.944 -1.171 12.745 1.00 22.24 C ATOM 1965 CD1 LEU A 122 -7.793 -0.182 13.017 1.00 63.44 C ATOM 1966 CD2 LEU A 122 -8.477 -2.378 11.900 1.00 11.22 C ATOM 0 H LEU A 122 -11.713 -0.978 12.801 1.00 5.42 H new ATOM 0 HA LEU A 122 -10.564 -3.461 13.389 1.00 12.12 H new ATOM 0 HB2 LEU A 122 -9.941 -0.733 14.614 1.00 14.42 H new ATOM 0 HB3 LEU A 122 -8.887 -2.131 14.682 1.00 14.42 H new ATOM 0 HG LEU A 122 -9.692 -0.641 12.155 1.00 22.24 H new ATOM 0 HD11 LEU A 122 -7.336 0.113 12.072 1.00 63.44 H new ATOM 0 HD12 LEU A 122 -8.184 0.701 13.523 1.00 63.44 H new ATOM 0 HD13 LEU A 122 -7.044 -0.660 13.648 1.00 63.44 H new ATOM 0 HD21 LEU A 122 -8.003 -2.021 10.986 1.00 11.22 H new ATOM 0 HD22 LEU A 122 -7.762 -2.968 12.473 1.00 11.22 H new ATOM 0 HD23 LEU A 122 -9.337 -2.998 11.645 1.00 11.22 H new ATOM 1978 N ARG A 123 -12.234 -2.103 15.917 1.00 0.45 N ATOM 1979 CA ARG A 123 -12.824 -2.325 17.259 1.00 63.21 C ATOM 1980 C ARG A 123 -13.659 -3.629 17.301 1.00 42.41 C ATOM 1981 O ARG A 123 -13.509 -4.431 18.219 1.00 31.05 O ATOM 1982 CB ARG A 123 -13.680 -1.079 17.678 1.00 14.13 C ATOM 1983 CG ARG A 123 -14.000 -0.917 19.205 1.00 74.11 C ATOM 1984 CD ARG A 123 -15.357 -1.529 19.667 1.00 32.51 C ATOM 1985 NE ARG A 123 -15.307 -2.990 19.886 1.00 11.45 N ATOM 1986 CZ ARG A 123 -16.348 -3.772 20.115 1.00 43.34 C ATOM 1987 NH1 ARG A 123 -17.552 -3.305 20.185 1.00 54.42 N ATOM 1988 NH2 ARG A 123 -16.149 -5.036 20.298 1.00 53.33 N ATOM 0 H ARG A 123 -12.541 -1.236 15.475 1.00 0.45 H new ATOM 0 HA ARG A 123 -12.015 -2.445 17.979 1.00 63.21 H new ATOM 0 HB2 ARG A 123 -13.159 -0.182 17.344 1.00 14.13 H new ATOM 0 HB3 ARG A 123 -14.625 -1.119 17.136 1.00 14.13 H new ATOM 0 HG2 ARG A 123 -13.197 -1.379 19.779 1.00 74.11 H new ATOM 0 HG3 ARG A 123 -13.997 0.145 19.450 1.00 74.11 H new ATOM 0 HD2 ARG A 123 -15.669 -1.043 20.591 1.00 32.51 H new ATOM 0 HD3 ARG A 123 -16.118 -1.309 18.919 1.00 32.51 H new ATOM 0 HE ARG A 123 -14.389 -3.434 19.858 1.00 11.45 H new ATOM 0 HH11 ARG A 123 -17.720 -2.306 20.062 1.00 54.42 H new ATOM 0 HH12 ARG A 123 -18.334 -3.935 20.363 1.00 54.42 H new ATOM 0 HH21 ARG A 123 -15.202 -5.413 20.264 1.00 53.33 H new ATOM 0 HH22 ARG A 123 -16.939 -5.656 20.476 1.00 53.33 H new ATOM 2002 N ARG A 124 -14.523 -3.853 16.295 1.00 24.33 N ATOM 2003 CA ARG A 124 -15.440 -5.025 16.295 1.00 23.04 C ATOM 2004 C ARG A 124 -14.711 -6.349 15.912 1.00 13.24 C ATOM 2005 O ARG A 124 -15.139 -7.431 16.329 1.00 22.34 O ATOM 2006 CB ARG A 124 -16.660 -4.773 15.365 1.00 33.00 C ATOM 2007 CG ARG A 124 -16.368 -4.826 13.845 1.00 50.13 C ATOM 2008 CD ARG A 124 -17.625 -4.583 12.983 1.00 71.24 C ATOM 2009 NE ARG A 124 -18.743 -5.477 13.355 1.00 54.44 N ATOM 2010 CZ ARG A 124 -19.738 -5.835 12.573 1.00 53.44 C ATOM 2011 NH1 ARG A 124 -19.784 -5.480 11.328 1.00 3.43 N ATOM 2012 NH2 ARG A 124 -20.682 -6.572 13.053 1.00 74.32 N ATOM 0 H ARG A 124 -14.611 -3.250 15.477 1.00 24.33 H new ATOM 0 HA ARG A 124 -15.802 -5.147 17.316 1.00 23.04 H new ATOM 0 HB2 ARG A 124 -17.427 -5.512 15.595 1.00 33.00 H new ATOM 0 HB3 ARG A 124 -17.078 -3.795 15.602 1.00 33.00 H new ATOM 0 HG2 ARG A 124 -15.615 -4.078 13.599 1.00 50.13 H new ATOM 0 HG3 ARG A 124 -15.945 -5.799 13.595 1.00 50.13 H new ATOM 0 HD2 ARG A 124 -17.941 -3.545 13.090 1.00 71.24 H new ATOM 0 HD3 ARG A 124 -17.377 -4.733 11.932 1.00 71.24 H new ATOM 0 HE ARG A 124 -18.742 -5.850 14.304 1.00 54.44 H new ATOM 0 HH11 ARG A 124 -19.037 -4.909 10.933 1.00 3.43 H new ATOM 0 HH12 ARG A 124 -20.567 -5.771 10.743 1.00 3.43 H new ATOM 0 HH21 ARG A 124 -20.651 -6.870 14.028 1.00 74.32 H new ATOM 0 HH22 ARG A 124 -21.460 -6.857 12.457 1.00 74.32 H new ATOM 2026 N THR A 125 -13.620 -6.253 15.111 1.00 14.53 N ATOM 2027 CA THR A 125 -12.849 -7.441 14.639 1.00 22.32 C ATOM 2028 C THR A 125 -11.693 -7.825 15.604 1.00 75.30 C ATOM 2029 O THR A 125 -11.224 -8.967 15.596 1.00 22.41 O ATOM 2030 CB THR A 125 -12.280 -7.223 13.184 1.00 74.44 C ATOM 2031 OG1 THR A 125 -11.792 -8.467 12.646 1.00 60.11 O ATOM 2032 CG2 THR A 125 -11.147 -6.177 13.127 1.00 74.33 C ATOM 0 H THR A 125 -13.250 -5.364 14.775 1.00 14.53 H new ATOM 0 HA THR A 125 -13.558 -8.269 14.621 1.00 22.32 H new ATOM 0 HB THR A 125 -13.110 -6.845 12.587 1.00 74.44 H new ATOM 0 HG1 THR A 125 -11.443 -8.318 11.742 1.00 60.11 H new ATOM 0 HG21 THR A 125 -10.799 -6.073 12.099 1.00 74.33 H new ATOM 0 HG22 THR A 125 -11.520 -5.217 13.482 1.00 74.33 H new ATOM 0 HG23 THR A 125 -10.320 -6.501 13.759 1.00 74.33 H new ATOM 2040 N CYS A 126 -11.249 -6.867 16.445 1.00 4.35 N ATOM 2041 CA CYS A 126 -10.060 -7.035 17.327 1.00 22.24 C ATOM 2042 C CYS A 126 -10.297 -6.418 18.728 1.00 43.14 C ATOM 2043 O CYS A 126 -11.129 -5.527 18.890 1.00 24.13 O ATOM 2044 CB CYS A 126 -8.823 -6.386 16.648 1.00 55.34 C ATOM 2045 SG CYS A 126 -7.319 -6.367 17.651 1.00 21.42 S ATOM 0 H CYS A 126 -11.699 -5.956 16.536 1.00 4.35 H new ATOM 0 HA CYS A 126 -9.883 -8.101 17.470 1.00 22.24 H new ATOM 0 HB2 CYS A 126 -8.616 -6.919 15.720 1.00 55.34 H new ATOM 0 HB3 CYS A 126 -9.073 -5.360 16.377 1.00 55.34 H new ATOM 0 HG CYS A 126 -7.545 -5.728 18.761 1.00 21.42 H new ATOM 2051 N GLY A 127 -9.546 -6.898 19.739 1.00 63.35 N ATOM 2052 CA GLY A 127 -9.666 -6.401 21.130 1.00 54.54 C ATOM 2053 C GLY A 127 -8.695 -5.252 21.468 1.00 63.33 C ATOM 2054 O GLY A 127 -7.699 -5.043 20.762 1.00 30.35 O ATOM 0 H GLY A 127 -8.847 -7.631 19.621 1.00 63.35 H new ATOM 0 HA2 GLY A 127 -10.688 -6.061 21.297 1.00 54.54 H new ATOM 0 HA3 GLY A 127 -9.489 -7.228 21.818 1.00 54.54 H new ATOM 2058 N PHE A 128 -9.022 -4.502 22.551 1.00 61.22 N ATOM 2059 CA PHE A 128 -8.177 -3.407 23.119 1.00 13.40 C ATOM 2060 C PHE A 128 -8.010 -2.178 22.179 1.00 22.43 C ATOM 2061 O PHE A 128 -7.011 -1.449 22.271 1.00 73.25 O ATOM 2062 CB PHE A 128 -6.790 -3.950 23.594 1.00 2.02 C ATOM 2063 CG PHE A 128 -6.839 -4.767 24.884 1.00 54.52 C ATOM 2064 CD1 PHE A 128 -7.118 -6.132 24.865 1.00 44.11 C ATOM 2065 CD2 PHE A 128 -6.614 -4.162 26.124 1.00 42.11 C ATOM 2066 CE1 PHE A 128 -7.162 -6.866 26.037 1.00 41.34 C ATOM 2067 CE2 PHE A 128 -6.660 -4.897 27.294 1.00 11.51 C ATOM 2068 CZ PHE A 128 -6.936 -6.247 27.251 1.00 71.33 C ATOM 0 H PHE A 128 -9.892 -4.639 23.066 1.00 61.22 H new ATOM 0 HA PHE A 128 -8.724 -3.037 23.986 1.00 13.40 H new ATOM 0 HB2 PHE A 128 -6.365 -4.568 22.803 1.00 2.02 H new ATOM 0 HB3 PHE A 128 -6.114 -3.107 23.738 1.00 2.02 H new ATOM 0 HD1 PHE A 128 -7.303 -6.624 23.922 1.00 44.11 H new ATOM 0 HD2 PHE A 128 -6.401 -3.104 26.169 1.00 42.11 H new ATOM 0 HE1 PHE A 128 -7.373 -7.925 26.003 1.00 41.34 H new ATOM 0 HE2 PHE A 128 -6.480 -4.413 28.243 1.00 11.51 H new ATOM 0 HZ PHE A 128 -6.975 -6.820 28.166 1.00 71.33 H new ATOM 2078 N LEU A 129 -8.993 -1.924 21.297 1.00 11.55 N ATOM 2079 CA LEU A 129 -9.052 -0.655 20.532 1.00 51.11 C ATOM 2080 C LEU A 129 -9.687 0.459 21.395 1.00 4.45 C ATOM 2081 O LEU A 129 -10.851 0.351 21.807 1.00 50.41 O ATOM 2082 CB LEU A 129 -9.814 -0.815 19.179 1.00 51.50 C ATOM 2083 CG LEU A 129 -9.049 -1.545 18.024 1.00 64.31 C ATOM 2084 CD1 LEU A 129 -7.704 -0.864 17.715 1.00 44.11 C ATOM 2085 CD2 LEU A 129 -8.863 -3.046 18.311 1.00 75.23 C ATOM 0 H LEU A 129 -9.754 -2.572 21.094 1.00 11.55 H new ATOM 0 HA LEU A 129 -8.029 -0.372 20.285 1.00 51.11 H new ATOM 0 HB2 LEU A 129 -10.739 -1.359 19.371 1.00 51.50 H new ATOM 0 HB3 LEU A 129 -10.095 0.178 18.827 1.00 51.50 H new ATOM 0 HG LEU A 129 -9.672 -1.463 17.134 1.00 64.31 H new ATOM 0 HD11 LEU A 129 -7.202 -1.399 16.908 1.00 44.11 H new ATOM 0 HD12 LEU A 129 -7.880 0.168 17.412 1.00 44.11 H new ATOM 0 HD13 LEU A 129 -7.076 -0.878 18.606 1.00 44.11 H new ATOM 0 HD21 LEU A 129 -8.328 -3.511 17.483 1.00 75.23 H new ATOM 0 HD22 LEU A 129 -8.291 -3.173 19.230 1.00 75.23 H new ATOM 0 HD23 LEU A 129 -9.839 -3.519 18.423 1.00 75.23 H new ATOM 2097 N GLU A 130 -8.894 1.515 21.673 1.00 21.20 N ATOM 2098 CA GLU A 130 -9.324 2.693 22.465 1.00 22.24 C ATOM 2099 C GLU A 130 -10.248 3.638 21.634 1.00 50.43 C ATOM 2100 O GLU A 130 -10.922 3.188 20.696 1.00 3.31 O ATOM 2101 CB GLU A 130 -8.060 3.440 22.999 1.00 23.32 C ATOM 2102 CG GLU A 130 -7.079 3.932 21.911 1.00 64.34 C ATOM 2103 CD GLU A 130 -5.842 4.643 22.492 1.00 51.13 C ATOM 2104 OE1 GLU A 130 -4.999 3.967 23.117 1.00 21.14 O ATOM 2105 OE2 GLU A 130 -5.715 5.883 22.343 1.00 3.34 O ATOM 0 H GLU A 130 -7.928 1.577 21.352 1.00 21.20 H new ATOM 0 HA GLU A 130 -9.918 2.354 23.314 1.00 22.24 H new ATOM 0 HB2 GLU A 130 -8.386 4.298 23.587 1.00 23.32 H new ATOM 0 HB3 GLU A 130 -7.523 2.775 23.676 1.00 23.32 H new ATOM 0 HG2 GLU A 130 -6.754 3.082 21.311 1.00 64.34 H new ATOM 0 HG3 GLU A 130 -7.601 4.614 21.240 1.00 64.34 H new ATOM 2112 N HIS A 131 -10.305 4.939 22.012 1.00 31.41 N ATOM 2113 CA HIS A 131 -11.136 5.944 21.318 1.00 40.43 C ATOM 2114 C HIS A 131 -10.794 6.048 19.807 1.00 50.31 C ATOM 2115 O HIS A 131 -9.647 6.302 19.424 1.00 20.40 O ATOM 2116 CB HIS A 131 -11.004 7.327 22.005 1.00 53.51 C ATOM 2117 CG HIS A 131 -11.532 7.347 23.415 1.00 74.41 C ATOM 2118 ND1 HIS A 131 -10.723 7.430 24.528 1.00 74.22 N ATOM 2119 CD2 HIS A 131 -12.801 7.293 23.886 1.00 70.32 C ATOM 2120 CE1 HIS A 131 -11.463 7.421 25.614 1.00 40.41 C ATOM 2121 NE2 HIS A 131 -12.726 7.342 25.256 1.00 64.14 N ATOM 0 H HIS A 131 -9.779 5.315 22.801 1.00 31.41 H new ATOM 0 HA HIS A 131 -12.171 5.611 21.390 1.00 40.43 H new ATOM 0 HB2 HIS A 131 -9.955 7.621 22.014 1.00 53.51 H new ATOM 0 HB3 HIS A 131 -11.539 8.071 21.414 1.00 53.51 H new ATOM 0 HD2 HIS A 131 -13.702 7.224 23.295 1.00 70.32 H new ATOM 0 HE1 HIS A 131 -11.096 7.470 26.629 1.00 40.41 H new ATOM 0 HE2 HIS A 131 -13.522 7.321 25.894 1.00 64.14 H new ATOM 2130 N HIS A 132 -11.822 5.828 18.978 1.00 70.33 N ATOM 2131 CA HIS A 132 -11.741 5.865 17.498 1.00 2.33 C ATOM 2132 C HIS A 132 -12.916 6.702 16.936 1.00 15.00 C ATOM 2133 O HIS A 132 -13.919 6.902 17.641 1.00 51.41 O ATOM 2134 CB HIS A 132 -11.776 4.421 16.933 1.00 61.24 C ATOM 2135 CG HIS A 132 -12.985 3.632 17.355 1.00 54.43 C ATOM 2136 ND1 HIS A 132 -14.183 3.680 16.679 1.00 11.10 N ATOM 2137 CD2 HIS A 132 -13.190 2.810 18.413 1.00 24.24 C ATOM 2138 CE1 HIS A 132 -15.066 2.934 17.302 1.00 64.44 C ATOM 2139 NE2 HIS A 132 -14.496 2.392 18.355 1.00 3.31 N ATOM 0 H HIS A 132 -12.759 5.613 19.318 1.00 70.33 H new ATOM 0 HA HIS A 132 -10.803 6.331 17.194 1.00 2.33 H new ATOM 0 HB2 HIS A 132 -11.745 4.466 15.844 1.00 61.24 H new ATOM 0 HB3 HIS A 132 -10.879 3.893 17.256 1.00 61.24 H new ATOM 0 HD2 HIS A 132 -12.462 2.535 19.162 1.00 24.24 H new ATOM 0 HE1 HIS A 132 -16.092 2.789 16.999 1.00 64.44 H new ATOM 0 HE2 HIS A 132 -14.949 1.765 19.019 1.00 3.31 H new ATOM 2148 N HIS A 133 -12.798 7.150 15.659 1.00 31.04 N ATOM 2149 CA HIS A 133 -13.773 8.077 15.023 1.00 53.01 C ATOM 2150 C HIS A 133 -13.829 9.396 15.841 1.00 4.42 C ATOM 2151 O HIS A 133 -14.815 9.695 16.524 1.00 44.14 O ATOM 2152 CB HIS A 133 -15.174 7.393 14.859 1.00 74.21 C ATOM 2153 CG HIS A 133 -16.214 8.183 14.091 1.00 3.21 C ATOM 2154 ND1 HIS A 133 -16.836 9.308 14.593 1.00 11.45 N ATOM 2155 CD2 HIS A 133 -16.743 8.001 12.855 1.00 41.23 C ATOM 2156 CE1 HIS A 133 -17.692 9.775 13.712 1.00 45.12 C ATOM 2157 NE2 HIS A 133 -17.657 9.004 12.653 1.00 42.33 N ATOM 0 H HIS A 133 -12.030 6.881 15.044 1.00 31.04 H new ATOM 0 HA HIS A 133 -13.447 8.327 14.013 1.00 53.01 H new ATOM 0 HB2 HIS A 133 -15.032 6.435 14.359 1.00 74.21 H new ATOM 0 HB3 HIS A 133 -15.570 7.179 15.852 1.00 74.21 H new ATOM 0 HD1 HIS A 133 -16.658 9.716 15.511 1.00 11.45 H new ATOM 0 HD2 HIS A 133 -16.492 7.214 12.160 1.00 41.23 H new ATOM 0 HE1 HIS A 133 -18.318 10.646 13.839 1.00 45.12 H new ATOM 2166 N HIS A 134 -12.710 10.141 15.815 1.00 74.32 N ATOM 2167 CA HIS A 134 -12.515 11.343 16.666 1.00 1.12 C ATOM 2168 C HIS A 134 -13.356 12.550 16.162 1.00 52.31 C ATOM 2169 O HIS A 134 -13.565 13.518 16.899 1.00 72.10 O ATOM 2170 CB HIS A 134 -11.006 11.710 16.737 1.00 34.54 C ATOM 2171 CG HIS A 134 -10.632 12.603 17.901 1.00 73.33 C ATOM 2172 ND1 HIS A 134 -10.059 13.852 17.761 1.00 74.32 N ATOM 2173 CD2 HIS A 134 -10.727 12.398 19.239 1.00 51.33 C ATOM 2174 CE1 HIS A 134 -9.822 14.368 18.951 1.00 73.33 C ATOM 2175 NE2 HIS A 134 -10.216 13.510 19.861 1.00 32.03 N ATOM 0 H HIS A 134 -11.916 9.934 15.209 1.00 74.32 H new ATOM 0 HA HIS A 134 -12.867 11.104 17.669 1.00 1.12 H new ATOM 0 HB2 HIS A 134 -10.424 10.791 16.799 1.00 34.54 H new ATOM 0 HB3 HIS A 134 -10.721 12.206 15.809 1.00 34.54 H new ATOM 0 HD2 HIS A 134 -11.130 11.522 19.725 1.00 51.33 H new ATOM 0 HE1 HIS A 134 -9.379 15.334 19.144 1.00 73.33 H new ATOM 0 HE2 HIS A 134 -10.153 13.647 20.870 1.00 32.03 H new ATOM 2184 N HIS A 135 -13.818 12.472 14.899 1.00 74.32 N ATOM 2185 CA HIS A 135 -14.709 13.480 14.284 1.00 20.20 C ATOM 2186 C HIS A 135 -16.071 13.529 15.037 1.00 4.45 C ATOM 2187 O HIS A 135 -16.925 12.655 14.845 1.00 11.03 O ATOM 2188 CB HIS A 135 -14.911 13.137 12.776 1.00 31.35 C ATOM 2189 CG HIS A 135 -15.578 14.212 11.942 1.00 13.13 C ATOM 2190 ND1 HIS A 135 -14.965 14.806 10.857 1.00 0.45 N ATOM 2191 CD2 HIS A 135 -16.815 14.770 12.005 1.00 40.11 C ATOM 2192 CE1 HIS A 135 -15.783 15.673 10.300 1.00 32.45 C ATOM 2193 NE2 HIS A 135 -16.910 15.671 10.976 1.00 40.24 N ATOM 0 H HIS A 135 -13.583 11.703 14.271 1.00 74.32 H new ATOM 0 HA HIS A 135 -14.253 14.467 14.361 1.00 20.20 H new ATOM 0 HB2 HIS A 135 -13.937 12.916 12.339 1.00 31.35 H new ATOM 0 HB3 HIS A 135 -15.506 12.227 12.706 1.00 31.35 H new ATOM 0 HD2 HIS A 135 -17.582 14.545 12.731 1.00 40.11 H new ATOM 0 HE1 HIS A 135 -15.565 16.282 9.435 1.00 32.45 H new ATOM 0 HE2 HIS A 135 -17.725 16.248 10.768 1.00 40.24 H new ATOM 2202 N HIS A 136 -16.244 14.555 15.895 1.00 64.22 N ATOM 2203 CA HIS A 136 -17.474 14.745 16.704 1.00 51.01 C ATOM 2204 C HIS A 136 -18.658 15.225 15.835 1.00 14.14 C ATOM 2205 O HIS A 136 -18.499 16.064 14.935 1.00 35.32 O ATOM 2206 CB HIS A 136 -17.208 15.731 17.886 1.00 13.45 C ATOM 2207 CG HIS A 136 -16.744 17.111 17.477 1.00 72.43 C ATOM 2208 ND1 HIS A 136 -17.612 18.099 17.056 1.00 11.20 N ATOM 2209 CD2 HIS A 136 -15.505 17.667 17.424 1.00 62.21 C ATOM 2210 CE1 HIS A 136 -16.931 19.188 16.758 1.00 22.44 C ATOM 2211 NE2 HIS A 136 -15.658 18.952 16.973 1.00 51.11 N ATOM 0 H HIS A 136 -15.539 15.276 16.049 1.00 64.22 H new ATOM 0 HA HIS A 136 -17.751 13.777 17.121 1.00 51.01 H new ATOM 0 HB2 HIS A 136 -18.124 15.830 18.469 1.00 13.45 H new ATOM 0 HB3 HIS A 136 -16.457 15.292 18.543 1.00 13.45 H new ATOM 0 HD2 HIS A 136 -14.575 17.186 17.688 1.00 62.21 H new ATOM 0 HE1 HIS A 136 -17.350 20.116 16.398 1.00 22.44 H new ATOM 0 HE2 HIS A 136 -14.901 19.620 16.827 1.00 51.11 H new TER 2220 HIS A 136